SCHEMBL7787522

SCHEMBL7787522

COc1ccc(C(NC(C)c2cccc(C(F)(F)F)c2)c2cccc(N)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SOS1 Q07889 4/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CASR P41180 4/20 0.42
KRAS P01116 2/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PNMT P11086 1/20 0.39
ACACB O00763 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL7784989 0.87 ACP3 (0.45) LMNAMEN1HTTKMT2ASOS1
SCHEMBL7780421 0.86 CASR (0.51) POLBLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL27530316 0.85 ALDH1A1 (0.50) LMNAHTTKMT2ASOS1CASR
SCHEMBL7780790 0.85 ALDH1A1 (0.50) LMNAHTTKMT2ASOS1CASR
SCHEMBL7785107 0.85 ALDH1A1 (0.50) LMNAHTTKMT2ASOS1CASR
SCHEMBL7780316 0.84 ACP3 (0.49) LMNAMEN1HTTKMT2ACASR
SCHEMBL7785127 0.84 ALDH1A1 (0.41) LMNAMEN1HTTKMT2ASOS1
SCHEMBL7780640 0.84 ALDH1A1 (0.41) LMNAMEN1HTTKMT2ASOS1
SCHEMBL7780432 0.84 ALDH1A1 (0.41) LMNAMEN1HTTKMT2ASOS1
SCHEMBL7780321 0.83 KMT2A (0.48) POLBLMNAMEN1HTTKMT2A

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