SCHEMBL7780313

SCHEMBL7780313

COc1ccc(C(NCc2cccc(F)c2)c2cccc(Nc3c(N)c(=O)c3=O)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.38
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
RXRA P19793 1/20 0.38
HNF4A P41235 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CASR P41180 2/20 0.37
MAOB P27338 2/20 0.37
MAOA P21397 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
SCHEMBL7787489 0.91 ALDH1A1 (0.39) TDP1ALDH1A1LMNAGAAMEN1
SCHEMBL7780429 0.90 TDP1 (0.42) TDP1ALDH1A1LMNAGAAMEN1
SCHEMBL7787655 0.83 ALDH1A1 (0.44) ALDH1A1LMNAGAAMEN1POLB
SCHEMBL7780560 0.83 ALDH1A1 (0.44) ALDH1A1LMNAGAAMEN1POLB
SCHEMBL7787600 0.83 KMT2A (0.43) TDP1ALDH1A1GAAMEN1POLB
SCHEMBL7780340 0.82 KMT2A (0.42) TDP1ALDH1A1LMNAGAAMEN1
SCHEMBL7787621 0.82 KMT2A (0.43) TDP1ALDH1A1LMNAGAAMEN1
SCHEMBL7785210 0.81 SIGMAR1 (0.43) TDP1ALDH1A1LMNAMEN1POLB
SCHEMBL7780362 0.81 TDP1 (0.50) TDP1ALDH1A1LMNAGAAMEN1
SCHEMBL7780337 0.81 ALDH1A1 (0.40) TDP1ALDH1A1LMNAGAAMEN1

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