SCHEMBL8540355

SCHEMBL8540355

COc1ccccc1C(C(=O)O)=C(N)C(=O)c1cccc(NC=NN)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 5/20 0.45
KCNK9 Q9NPC2 5/20 0.45
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
GRM5 P41594 1/20 0.39
POLB P06746 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 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
SCHEMBL8538385 0.87 KCNK3 (0.43) KCNK3KCNK9NPC1RAB9AKMT2A
SCHEMBL8538615 0.85 RXFP1 (0.40) KCNK3KCNK9MAPK1KDM4E
SCHEMBL8539554 0.85 CA1 (0.38) KCNK3KCNK9NPC1RAB9AKMT2A
SCHEMBL8542364 0.84 CES2 (0.47) KCNK3KCNK9NPC1RAB9AKMT2A
SCHEMBL8538807 0.84 KCNK3 (0.42) KCNK3KCNK9NPC1RAB9AKMT2A
SCHEMBL8536780 0.83 MEN1 (0.39) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL8542388 0.82 ATIC (0.34) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL8542422 0.80 PARP1 (0.36) KCNK3KCNK9NPC1RAB9AKMT2A
SCHEMBL8538564 0.80 PARP1 (0.40) KCNK3KCNK9NPC1RAB9AKMT2A
SCHEMBL8538094 0.78 CES2 (0.42) KCNK3KCNK9NPC1RAB9AKMT2A

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-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US claimed