SCHEMBL20195671

SCHEMBL20195671

O=C(c1cc2c3c(ccc2[nH]1)NCC3)N1CCc2c1cc(O)c1ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 4/20 0.37
HPGD P15428 3/20 0.37
CYP1A2 P05177 2/20 0.37
HTT P42858 2/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.36
HRH4 Q9H3N8 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
PRKD1 Q15139 1/20 0.35
PLK4 O00444 1/20 0.35
DAPK3 O43293 1/20 0.35
DYRK3 O43781 1/20 0.35

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
SCHEMBL532721 0.83 NPC1 (0.38) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL5384431 0.83 NPC1 (0.38) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL22048825 0.82 RAB9A (0.38) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL22062300 0.82 PLK4 (0.38) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL14138287 0.81 HRH4 (0.42) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL29462567 0.81 NPC1 (0.36) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL5388939 0.80 RAB9A (0.41) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL20764391 0.80 NPC1 (0.35) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL13311142 0.80 KDR (0.43) NPC1MEN1KMT2ARXFP1KDM4E
SCHEMBL6518352 0.80 KDR (0.55) MEN1KMT2AKDM4EHPGDCYP1A2

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-2097097-B1 ANTIBODIES, IN PARTICULAR HUMAN ANTIBODIES, THAT BIND CD22 AND USES THEREOF SQUIBB & SONS LLC (US) 2018-05-30 EP disclosed