SCHEMBL20808136

SCHEMBL20808136

CCCCCCCCCCNC(=O)c1ccc(Cn2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CNR1 P21554 1/20 0.43
GCGR P47871 4/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GIPR P48546 2/20 0.42
MAPT P10636 1/20 0.41
MLYCD O95822 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
VIPR2 P41587 1/20 0.41
GLP1R P43220 1/20 0.41
MGAT2 Q10469 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL20808133 1.00 TP53 (0.45) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL20808102 1.00 TP53 (0.45) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL20808078 1.00 TP53 (0.45) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL16606889 0.93 NPC1 (0.44) TP53NPC1RAB9AKMT2AGCGR
SCHEMBL17955905 0.93 NPC1 (0.44) TP53NPC1RAB9AKMT2AGCGR
SCHEMBL17969711 0.93 NPC1 (0.44) TP53NPC1RAB9AKMT2AGCGR
SCHEMBL16606947 0.93 NPC1 (0.44) TP53NPC1RAB9AKMT2AGCGR
SCHEMBL16606854 0.93 NPC1 (0.44) TP53NPC1RAB9AKMT2AGCGR
SCHEMBL16606864 0.93 NPC1 (0.44) TP53NPC1RAB9AKMT2AGCGR
SCHEMBL20808134 0.91 TP53 (0.43) TP53NPC1RAB9AGCGRKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3050875-B1 NOVEL IMIDAZOLE DERIVATIVE AND THERAPEUTICAL USE THEREOF UNIV YONSEI IACF (KR) 2019-03-13 EP disclosed