SCHEMBL6562307

SCHEMBL6562307

N#Cc1ccc(C[C]=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.54
CYP2A6 P11509 2/20 0.54
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
MAPT P10636 1/20 0.48
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
CYP19A1 P11511 2/20 0.44
HTT P42858 1/20 0.44
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
CTBP2 P56545 1/20 0.43
IDO1 P14902 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL11139354 0.82 CYP3A4 (0.42) ALDH1A1TSHR
SCHEMBL249189 0.80 LOXL2 (0.58) LOXL2CYP2A6SAE1UBA2MAPT
SCHEMBL1344068 0.79 LOXL2 (0.65) LOXL2CYP2A6SAE1UBA2CYP19A1
SCHEMBL10821186 0.76 LOXL2 (0.54) LOXL2CYP2A6MAPTCYP19A1HTT
SCHEMBL16150506 0.76 LOXL2 (0.54) LOXL2CYP2A6SAE1UBA2MAPT
SCHEMBL595992 0.75 LOXL2 (0.58) LOXL2CYP2A6SAE1UBA2MAPT
SCHEMBL4797601 0.74 GLA (0.51) MMP12MMP13CYP19A1HRH3ALDH1A1
SCHEMBL1004267 0.74 LOXL2 (0.64) LOXL2CYP2A6SAE1UBA2MMP12
SCHEMBL18427888 0.74 HRH3 (0.41) MMP12MMP13CYP19A1HTTHRH3
Hydrogen Sulfide SCHEMBL27473258 0.73 LOXL2 (0.56) LOXL2CYP2A6SAE1UBA2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116891476-A Fluorescent probe for rapidly detecting hydrogen sulfide gas and preparation method and application thereof 云南电力试验研究院(集团)有限公司 2023-10-17 CN claimed
CN-116891476-A Fluorescent probe for rapidly detecting hydrogen sulfide gas and preparation method and application thereof 云南电力试验研究院(集团)有限公司 2023-10-17 CN disclosed
CN-1723199-A 1,4-disubstituted piperidine derivatives and their use as 11-beta hsd1 inhibitors ASTRAZENECA AB (SE) 2006-01-18 CN disclosed
EP-1085009-B1 INDAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2004-11-10 EP disclosed
EP-0934296-B1 CHROMAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-06-04 EP disclosed
US-6486178-B1 Indane derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 US disclosed
EP-1085009-A1 INDAN DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2001-03-21 EP disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
WO-2000012492-A1 BENZOXAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-09 WO disclosed
EP-0934296-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-08-11 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed
US-4565654-A BETA-LACTAMASE ENZYME INHIBITORS UNIVERSITY OF NOTRE DAME DU LAC (US) 1986-01-21 US disclosed
US-4560749-A ANTIBIOTICS, BACTERICIDES ELI LILLY AND COMPANY (US) 1985-12-24 US disclosed
US-4521598-A 3-Azidocephalosporins ELI LILLY AND COMPANY (US) 1985-06-04 US disclosed
US-4515719-A Azetidinone sulfinic acids from cephalosporin sulfones ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
EP-0136177-A2 3-Azidocephalosporins as intermediates and novel antibacterial agents ELI LILLY AND COMPANY (US) 1985-04-03 EP disclosed
EP-0132395-A1 Improvements in or relating to the preparation of azetidinone sulfinic acids from cephalosporin sulfones ELI LILLY AND COMPANY (US) 1985-01-30 EP disclosed
EP-0123442-A1 Improvements in or relating to a process for producing beta-lactam compounds THE UNIVERSITY OF NOTRE DAME DU LAC (US) 1984-10-31 EP disclosed
US-3960844-A Preparation of 6-acylamino-2-methyl-2-halomethyl penams ELI LILLY AND COMPANY (US) 1976-06-01 US disclosed
US-3941781-A Preparation of 3-alkylthiomethyl cephalosporins ELI LILLY AND COMPANY (US) 1976-03-02 US disclosed