SCHEMBL7780337

SCHEMBL7780337

COc1ccc(C(NCCc2cccc(F)c2)c2cccc(Nc3c(OC)c(=O)c3=O)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2A P28223 2/20 0.39
TAAR1 Q96RJ0 1/20 0.36
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL7780429 0.91 TDP1 (0.42) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL7789113 0.91 KMT2A (0.44) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL7787489 0.90 ALDH1A1 (0.39) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL7784907 0.85 SIGMAR1 (0.44) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL7780087 0.82 KMT2A (0.45) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL7780556 0.81 ALDH1A1 (0.44) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL7780313 0.81 TDP1 (0.41) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL7787600 0.80 KMT2A (0.43) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL7785061 0.80 KMT2A (0.44) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL7803820 0.80 RAB9A (0.45) ALDH1A1LMNAGAAKMT2AMEN1

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