SCHEMBL8628652

SCHEMBL8628652

COC(=O)c1cccc(S)c1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL11704260 0.84 KDM4E (0.45) KDM4EPOLBATMALDH1A1GAA
SCHEMBL8822604 0.83 ALDH1A1 (0.51) KDM4EPOLBATMALDH1A1GAA
SCHEMBL8832103 0.81 KDM4E (0.43) KDM4EPOLBATMALDH1A1GAA
SCHEMBL8831501 0.81 ALDH1A1 (0.44) KDM4EPOLBATMALDH1A1GAA
SCHEMBL27128846 0.81 ALDH1A1 (0.40) KDM4EPOLBATMALDH1A1GAA
SCHEMBL11095452 0.80 PLA2G2A (0.47) KDM4EALDH1A1TSHRLMNAMAPT
SCHEMBL1607017 0.78 CA9 (0.50) KDM4EPOLBATMALDH1A1GAA
SCHEMBL9087027 0.77 ALDH1A1 (0.60) KDM4EPOLBALDH1A1TSHRLMNA
SCHEMBL8831581 0.77 ALDH1A1 (0.41) KDM4EPOLBATMALDH1A1GAA
SCHEMBL8831745 0.77 ALDH1A1 (0.39) KDM4EPOLBATMALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847126-A N-azinyl-N'-(het) arylsulphonyl-ureas BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
US-5696257-A INTERMEDIATES FOR HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
US-5580842-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed
US-5476936-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-12-19 US disclosed