SCHEMBL7780790

SCHEMBL7780790

COc1ccc(C(N[C@@H](C)c2cccc(F)c2)c2cccc(N)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
LMNA P02545 3/20 0.50
GAA P10253 2/20 0.50
EGFR P00533 1/20 0.41
CASR P41180 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 2/20 0.39
MITF O75030 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 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
PFKFB3 Q16875 1/20 0.38
RELA Q04206 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ACP3 P15309 2/20 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
SCHEMBL7785107 1.00 ALDH1A1 (0.50) ALDH1A1LMNAGAAEGFRCASR
SCHEMBL27530316 1.00 ALDH1A1 (0.50) ALDH1A1LMNAGAAEGFRCASR
SCHEMBL7785129 0.93 ALDH1A1 (0.45) ALDH1A1LMNAGAAEGFRCASR
SCHEMBL7785574 0.93 ALDH1A1 (0.45) ALDH1A1LMNAGAAEGFRCASR
SCHEMBL7780321 0.91 KMT2A (0.48) ALDH1A1LMNAGAAEGFRCASR
SCHEMBL7780080 0.91 ALDH1A1 (0.46) ALDH1A1LMNAGAAEGFRCASR
SCHEMBL7784989 0.90 ACP3 (0.45) ALDH1A1LMNAGAACASRKMT2A
SCHEMBL7780432 0.89 ALDH1A1 (0.41) ALDH1A1LMNAGAACASRKMT2A
SCHEMBL7785127 0.89 ALDH1A1 (0.41) ALDH1A1LMNAGAACASRKMT2A
SCHEMBL7780640 0.89 ALDH1A1 (0.41) ALDH1A1LMNAGAACASRKMT2A

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