SCHEMBL9871507

SCHEMBL9871507

COc1ccc(N2C(=S)NC(C)=C(C(=O)O)C2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
GAA P10253 3/20 0.39
HSD11B1 P28845 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GUSB P08236 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL9475138 0.73 ALDH1A1 (0.53) ALDH1A1KDM4EGAAHPGDLMNA
SCHEMBL9871999 0.71 ALDH1A1 (0.47) ALDH1A1KDM4EGAAHPGDLMNA
SCHEMBL27517088 0.68 KDM4E (0.68) ALDH1A1KDM4EGAAHPGDLMNA
SCHEMBL7347481 0.68 GUSB (0.70) ALDH1A1KDM4EGAACA1CA2
SCHEMBL7347477 0.68 GUSB (0.70) ALDH1A1KDM4EGAACA1CA2
SCHEMBL9870418 0.64 GAA (0.47) L3MBTL1ALDH1A1KDM4EGAALMNA
SCHEMBL9401767 0.63 KDM4E (0.68) ALDH1A1KDM4EGAAHPGDLMNA
SCHEMBL14413835 0.63 ALDH1A1 (0.80) ALDH1A1KDM4EGAATP53
SCHEMBL19732926 0.63 ALDH1A1 (0.80) ALDH1A1KDM4EGAATP53
SCHEMBL15898340 0.62 CA1 (0.43) L3MBTL1ALDH1A1GAALMNACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071849-A Antiinflammatory, antianginal agent EGIS GYOGYSZERGYAR (HU) 1991-12-10 US disclosed