SCHEMBL7780374

SCHEMBL7780374

CCCOc1ccc(C(NC(C)c2cc(F)cc(F)c2)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 5/20 0.38
LMNA P02545 4/20 0.38
CYP2C9 P11712 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP3A4 P08684 1/20 0.38
HCRTR1 O43613 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
MAPK1 P28482 1/20 0.38
FFAR1 O14842 1/20 0.38
CYP2C19 P33261 1/20 0.37
CXCL12 P48061 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7787458 0.92 LMNA (0.45) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7780564 0.87 MAPK1 (0.46) MEN1KMT2ASMN1; SMN2NPC1GAA
SCHEMBL7785152 0.87 MAPK1 (0.46) MEN1KMT2ASMN1; SMN2NPC1GAA
SCHEMBL7785701 0.86 LMNA (0.39) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7787532 0.85 MEN1 (0.40) MEN1KMT2ASMN1; SMN2NPC1GAA
SCHEMBL27533527 0.85 MEN1 (0.40) MEN1KMT2ASMN1; SMN2NPC1GAA
SCHEMBL7785105 0.84 CRHBP (0.44) MEN1KMT2ASMN1; SMN2GAALMNA
SCHEMBL7785576 0.84 CRHBP (0.44) MEN1KMT2ASMN1; SMN2GAALMNA
SCHEMBL27540162 0.83 HTT (0.46) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL7780592 0.83 HTT (0.46) MEN1KMT2ASMN1; SMN2MAPTLMNA

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 3 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
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed