SCHEMBL9837599

SCHEMBL9837599

C=CCn1c(=O)sc2cc(F)c(NC(=O)N3CCCCN3C(=O)OCC)cc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.40
ALDH1A1 P00352 9/20 0.36
HPGD P15428 7/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 5/20 0.34
MAPT P10636 5/20 0.34
POLB P06746 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX15 P16050 2/20 0.32
MEN1 O00255 2/20 0.32
HSD17B10 Q99714 2/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
PLK1 P53350 1/20 0.32

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
SCHEMBL9837655 0.91 SHMT2 (0.39) SHMT2ALDH1A1HPGDTDP1KMT2A
SCHEMBL9687121 0.81 GRIN1 (0.34) ALDH1A1TDP1KMT2AKDM4EMAPT
SCHEMBL9839357 0.67 SHMT2 (0.39) SHMT2ALDH1A1HPGDKDM4EMAPT
SCHEMBL10990406 0.66 LMNA (0.42) ALDH1A1HPGDKMT2AMAPTSMN1; SMN2
SCHEMBL10413738 0.66 SHMT2 (0.36) SHMT2ALDH1A1HPGDKDM4E
SCHEMBL8355924 0.65 SHMT2 (0.45) SHMT2ALDH1A1HPGDKMT2AKDM4E
SCHEMBL10844388 0.65 POLB (0.38) ALDH1A1KMT2AKDM4EPOLBL3MBTL1
SCHEMBL9478581 0.65 TP53 (0.37) ALDH1A1HPGDKDM4EMAPTSIGMAR1
SCHEMBL9478574 0.65 TP53 (0.37) ALDH1A1HPGDKDM4EMAPTSIGMAR1
SCHEMBL9837540 0.63 SHMT2 (0.42) SHMT2ALDH1A1TDP1KMT2AKDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62215589-A None JP disclosed
EP-0230874-B1 BENZOTHIAZOLYLAZOLIDINES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-11-27 EP disclosed
US-4898948-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-02-06 US disclosed
US-4828605-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-05-09 US disclosed
US-4786310-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-22 US disclosed
JP-S62215589-A BENZOTHIAZOLONE DERIVATIVE, PRODUCTION THEREOF AND HERBICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT SUMITOMO CHEM CO LTD 1987-09-22 JP disclosed
EP-0230874-A1 Benzothiazolylazolidines, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-08-05 EP disclosed