SCHEMBL12971

SCHEMBL12971

Cc1cccc(-c2nnc(C)s2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
HPGD P15428 3/20 0.49
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B1 P14061 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HRH3 Q9Y5N1 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
DCTPP1 Q9H773 1/20 0.46
LMNA P02545 2/20 0.45
USP2 O75604 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ATM Q13315 1/20 0.43
SIRT1 Q96EB6 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14873462 0.86 HSD17B1 (0.55) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL2221168 0.81 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL29431736 0.81 HSD17B1 (0.76) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B1
SCHEMBL16636791 0.81 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL11873113 0.81 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL2288997 0.81 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL460799 0.81 KDM4E (0.65) ALDH1A1MEN1KMT2AKDM4EHSD17B1
SCHEMBL11337791 0.81 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL11619783 0.80 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL2421712 0.79 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111995620-B Preparation method of 1,3, 4-thiadiazole compound and compound prepared by same 重庆医科大学 2023-06-06 CN disclosed
CN-111995620-A Preparation method of 1,3, 4-thiadiazole compound and compound prepared by same 重庆医科大学 2020-11-27 CN disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-8053046-B2 Ink for inkjet printing, ink set for inkjet printing, inkjet recording material and producing method for inkjet recording material, and inkjet recording method FUJIFILM CORPORATION (JP) 2011-11-08 US disclosed
US-8025936-B2 Optical compensation film, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2011-09-27 US disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-7968156-B2 Compound, composition, retardation plate, elliptically-polarizing plate and liquid-crystal display device FUJIFILM CORPORATION (JP) 2011-06-28 US disclosed
US-7968157-B2 Discotic nematic material, composition, retardation plate, elliptically-polarizing plate and compound FUJIFILM CORPORATION (JP) 2011-06-28 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed
US-7431972-B2 Optical film, and polarizing plate and liquid crystal display device using the same FUJIFILM CORPORATION (JP) 2008-10-07 US disclosed
US-7393094-B2 Ink for inkjet, ink set for inkjet, and inkjet recording method FUJIFILM CORPORATION (JP) 2008-07-01 US disclosed
US-20070266890-A1 Ink and Ink Set for Inkjet Recording FUJI PHOTO FILM CO., LTD. (JP) 2007-11-22 US disclosed
US-20070167537-A1 Ink for ink jet, a method for produing ink for ink jet, ink set for ink jet, and ink jet recording method FUJI PHOTO FILM CO., LTD. (JP) 2007-07-19 US disclosed
US-20070120920-A1 Ink for inkjet, ink set for inkjet, and inkjet recording method FUJIFILM CORPORATION (JP) 2007-05-31 US disclosed
US-7220302-B2 Ink and ink set for inkjet, and inkjet recording method FUJIFILM CORPORATION (JP) 2007-05-22 US disclosed
US-7208035-B2 Ink set and ink jet recording method FUJIFILM CORPORATION (JP) 2007-04-24 US disclosed
US-20070070159-A1 Ink composition, ink set and recording method FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
US-20070065601-A1 Optical film, and polarizing plate and liquid crystal display device using the same FUJI PHOTO FILM CO., LTD. (JP) 2007-03-22 US disclosed
US-20070052783-A1 Ink for inkjet printing ink set for inkjet printing inkjet recording material and producing method for inkjet recording material and inkjet recording method FUJIFILM CORPORATION (JP) 2007-03-08 US disclosed