SCHEMBL7787619

SCHEMBL7787619

COc1cccc(C(N[C@@H](C)c2cccc(F)c2)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CASR P41180 2/20 0.39
GAA P10253 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
HTT P42858 1/20 0.39
P2RY2 P41231 1/20 0.39
GPR17 Q13304 1/20 0.39

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
SCHEMBL7780405 0.92 LMNA (0.48) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL7780373 0.92 LMNA (0.48) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL27556854 0.89 MAPK1 (0.48) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL7785304 0.89 MAPK1 (0.48) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL7785688 0.87 CRHBP (0.44) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL7780359 0.86 MAPT (0.41) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL7780564 0.86 MAPK1 (0.46) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL7785152 0.86 MAPK1 (0.46) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL7784992 0.86 MAPT (0.46) ABCG2MAPTLMNAALDH1A1NPC1
SCHEMBL7780773 0.85 SMN1; SMN2 (0.43) ABCG2MAPTLMNAALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed