SCHEMBL7787458

SCHEMBL7787458

CCOc1ccc(C(NC(C)c2cc(F)cc(F)c2)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
FFAR1 O14842 1/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 2/20 0.39
HCRTR1 O43613 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.39
PTGS2 P35354 1/20 0.39
ADAMTS5 Q9UNA0 2/20 0.38
MITF O75030 1/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSP90AA1 P07900 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7780374 0.92 MEN1 (0.42) LMNAFFAR1KMT2AMEN1MAPT
SCHEMBL7780564 0.89 MAPK1 (0.46) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL7785152 0.89 MAPK1 (0.46) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL7785701 0.88 LMNA (0.39) LMNAKMT2AMEN1MAPTHCRTR1
SCHEMBL27533527 0.87 MEN1 (0.40) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL7787532 0.87 MEN1 (0.40) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL7785105 0.86 CRHBP (0.44) LMNAKMT2AMEN1ALDH1A1HPGD
SCHEMBL7785576 0.86 CRHBP (0.44) LMNAKMT2AMEN1ALDH1A1HPGD
SCHEMBL7780592 0.85 HTT (0.46) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL27540162 0.85 HTT (0.46) LMNAKMT2AMEN1MAPTALDH1A1

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