SCHEMBL9869340

SCHEMBL9869340

CCc1cccc(-n2nc3ccc(Cl)cc3n2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 5/20 0.35
KDM4E B2RXH2 3/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL7874799 0.88 NPC1 (0.39) NPC1RAB9AMAPTKDM4EATM
SCHEMBL2589686 0.87 ADORA3 (0.39) NPC1RAB9AMAPTTP53MEN1
SCHEMBL13121650 0.84 GABRA1 (0.52) GABRA1GABRB2NPC1RAB9AKDM4E
SCHEMBL31155592 0.83 NPC1 (0.51) NPC1RAB9AMAPTKDM4EATM
SCHEMBL5697093 0.83 NPC1 (0.53) NPC1RAB9AMAPTKDM4EATM
SCHEMBL29492042 0.83 NPC1 (0.41) NPC1RAB9AMAPTKDM4EATM
SCHEMBL17940508 0.83 NPC1 (0.41) NPC1RAB9AMAPTKDM4EATM
SCHEMBL19119905 0.82 NPC1 (0.39) NPC1RAB9AMAPTKDM4EATM
SCHEMBL10873172 0.82 NPC1 (0.48) NPC1RAB9AMAPTKDM4EATM
SCHEMBL30426108 0.81 CA2 (0.42) GABRA1GABRB2NPC1RAB9AMAPT

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
US-5019614-A Stabilized polymers SHELL OIL COMPANY (US) 1991-05-28 US disclosed