SCHEMBL6032070

SCHEMBL6032070

CCCCCc1ccc(CNC(=O)c2ccc(-c3nc(Cc4cc(C(=O)NCc5ccc(OCC(=O)O)cc5)ccc4C(F)(F)F)cs3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 2/20 0.44
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
LMNA P02545 3/20 0.43
PPARA Q07869 2/20 0.43
RHOC P08134 1/20 0.42
RHOA P61586 1/20 0.42
POLB P06746 2/20 0.41
PTPRC P08575 1/20 0.40
PTPRF P10586 1/20 0.40
PTPN1 P18031 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
CDC25C P30307 1/20 0.40
PPP1CC P36873 1/20 0.40
KLKB1 P03952 1/20 0.40
KLK1 P06870 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
SCHEMBL5094343 0.84 MAPT (0.56) TP53MAPTALDH1A1EPHX2NR1H4
SCHEMBL2468727 0.83 TP53 (0.50) TP53MAPTALDH1A1EPHX2NR1H4
SCHEMBL6031419 0.83 PLK1 (0.41) TP53MAPTLMNAPPARARHOC
SCHEMBL5100823 0.79 TP53 (0.50) TP53MAPTALDH1A1EPHX2NR1H4
SCHEMBL2472568 0.78 TP53 (0.49) TP53MAPTALDH1A1EPHX2NR1H4
SCHEMBL14208442 0.77 MAPT (0.57) TP53MAPTALDH1A1LMNAPPARA
SCHEMBL4964646 0.77 MAPT (0.48) TP53MAPTALDH1A1EPHX2NR1H4
SCHEMBL2473901 0.76 TP53 (0.47) TP53MAPTALDH1A1EPHX2NR1H4
SCHEMBL2473905 0.76 TP53 (0.47) TP53MAPTALDH1A1EPHX2NR1H4
SCHEMBL5100835 0.76 MAPT (0.47) TP53MAPTALDH1A1EPHX2NR1H4

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
EP-1656139-A1 ARYL DICARBOXAMIDES Applied Research Systems ARS Holding N.V. (AN) 2006-05-17 EP claimed
WO-2005011685-A1 ARYL DICARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 WO claimed