SCHEMBL9065362

SCHEMBL9065362

CCc1ccc(Nc2ccc(Nc3ccc(CC)c(C)c3)cc2)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
RECQL P46063 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
G6PD P11413 1/20 0.44
KMT2A Q03164 1/20 0.44
SOS1 Q07889 1/20 0.40
P2RX3 P56373 1/20 0.39
POLB P06746 1/20 0.38
APP P05067 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RAPGEF4 Q8WZA2 2/20 0.38
LMNA P02545 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
SCHEMBL13344098 0.83 POLB (0.38) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL395712 0.82 CYP4A11 (0.42) ALDH1A1L3MBTL1GAAMEN1KMT2A
SCHEMBL11418793 0.81 NOS3 (0.38) ALDH1A1ALOX15TDP1GAAMEN1
SCHEMBL29196001 0.79 DHFR (0.46) ALDH1A1GAAMAPTNPSR1DHFR
SCHEMBL26326866 0.78 ALDH1A1 (0.40) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL14035673 0.78 MAPT (0.37) ALDH1A1CYP3A4HIF1ATDP1L3MBTL1
SCHEMBL26805115 0.78 MEN1 (0.48) L3MBTL1GAAMEN1G6PDKMT2A
SCHEMBL14035672 0.76 MAPT (0.36) ALDH1A1CYP3A4TDP1L3MBTL1GAA
SCHEMBL11335981 0.76 NR3C1 (0.40) ALDH1A1CYP3A4THRBALOX15HIF1A
SCHEMBL2550927 0.76 ALDH1A1 (0.56) ALDH1A1CYP3A4TDP1L3MBTL1MEN1

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-0737231-A1 THERMAL STABILIZED RESIN COMPOSITIONS KOLON INDUSTRIES, INC. (KR) 1996-10-16 EP disclosed
WO-1995018181-A1 THERMAL STABILIZED RESIN COMPOSITIONS KOLON INDUSTRIES, INC. (KR) 1995-07-06 WO disclosed