SCHEMBL7780362

SCHEMBL7780362

COc1ccc(C(NCc2cccc(F)c2)c2cccc(N)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
CASR P41180 4/20 0.44
PTPN7 P35236 1/20 0.42
DUSP3 P51452 1/20 0.42
RXRA P19793 1/20 0.42
HNF4A P41235 1/20 0.42
MAOB P27338 5/20 0.41
MAOA P21397 1/20 0.41
SCN9A Q15858 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL7787602 0.89 ALDH1A1 (0.44) TDP1ALDH1A1LMNAGAAMAOB
SCHEMBL7787461 0.87 TDP1 (0.55) TDP1ALDH1A1LMNAGAACASR
SCHEMBL7789351 0.83 TDP1 (0.41) TDP1ALDH1A1LMNAGAACASR
SCHEMBL7780313 0.81 TDP1 (0.41) TDP1ALDH1A1LMNAGAACASR
SCHEMBL7787614 0.80 GAA (0.48) TDP1ALDH1A1LMNAGAARXRA
SCHEMBL7785107 0.79 ALDH1A1 (0.50) ALDH1A1LMNAGAACASRKMT2A
SCHEMBL7785046 0.79 TDP1 (0.49) TDP1ALDH1A1GAACASRMEN1
SCHEMBL7780790 0.79 ALDH1A1 (0.50) ALDH1A1LMNAGAACASRKMT2A
SCHEMBL27530316 0.79 ALDH1A1 (0.50) ALDH1A1LMNAGAACASRKMT2A
SCHEMBL7780429 0.78 TDP1 (0.42) TDP1ALDH1A1LMNAGAACASR

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