SCHEMBL7274040

SCHEMBL7274040

COc1ccc(-c2ccc(C(N)=O)cc2)cc1SC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.59
PDE4A P27815 5/20 0.56
PDE4B Q07343 5/20 0.56
PDE4C Q08493 5/20 0.56
PDE4D Q08499 5/20 0.56
CHEK2 O96017 3/20 0.53
CHEK1 O14757 2/20 0.53
MKNK1 Q9BUB5 3/20 0.50
MKNK2 Q9HBH9 3/20 0.50
ERN1 O75460 1/20 0.50
MAPK1 P28482 1/20 0.50
PIK3CA P42336 1/20 0.48
ATR Q13535 1/20 0.48
FYN P06241 2/20 0.48
MAP4K4 O95819 1/20 0.48
PIK3CG P48736 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
PARP1 P09874 1/20 0.46

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
SCHEMBL14499515 0.80 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DCHEK2
SCHEMBL7439701 0.78 ALDH1A1 (0.60) ARPDE4APDE4BPDE4CPDE4D
SCHEMBL7281201 0.78 PDE4A (0.58) ARPDE4APDE4BPDE4CPDE4D
SCHEMBL4599581 0.76 ERN1 (0.72) PDE4APDE4BPDE4CPDE4DCHEK2
SCHEMBL7077723 0.76 MAPK1 (0.57) ARPDE4APDE4BPDE4CPDE4D
SCHEMBL10804813 0.76 ALDH1A1 (0.51) ARMAPK1CA1CA2
SCHEMBL4455295 0.76 CA1 (0.65) MAPK1CA1CA2
SCHEMBL8729926 0.74 MAPT (0.58) CA1CA2
SCHEMBL28259429 0.74 FYN (0.67) PDE4APDE4BPDE4CPDE4DCHEK2
SCHEMBL26628336 0.74 PARP10 (0.61) PDE4APDE4BPDE4CPDE4DCHEK2

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
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed