SCHEMBL8105987

SCHEMBL8105987

O=c1cc(-c2ccc(Cl)cc2)nc2ccccn12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 8/20 0.49
HSD17B10 Q99714 3/20 0.49
KMT2A Q03164 3/20 0.49
GRM5 P41594 1/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
GAA P10253 2/20 0.48
GLA P06280 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
KDM5B Q9UGL1 1/20 0.46
MAPT P10636 2/20 0.45
ENPP2 Q13822 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45

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
SCHEMBL1659994 0.87 KDM4E (0.52) NPC1RAB9AKDM4EHSD17B10KMT2A
SCHEMBL8100175 0.85 GRM5 (0.55) NPC1RAB9AKDM4EHSD17B10KMT2A
SCHEMBL8092386 0.85 NPC1 (0.55) NPC1RAB9AKDM4EHSD17B10KMT2A
SCHEMBL1834856 0.83 ADORA3 (0.47) NPC1KDM4EHSD17B10KMT2AGRM5
SCHEMBL8099804 0.82 RAB9A (0.49) NPC1RAB9AKDM4EHSD17B10KMT2A
SCHEMBL20304526 0.81 KDM4E (0.47) NPC1RAB9AKDM4EHSD17B10KMT2A
SCHEMBL8108255 0.81 KDM4E (0.65) NPC1RAB9AKDM4EHSD17B10KMT2A
SCHEMBL8100226 0.79 KDM4E (0.59) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL1661596 0.79 KDM5B (0.44) NPC1RAB9AKDM4EALDH1A1KDM5B
SCHEMBL28958142 0.79 NPC1 (0.56) NPC1RAB9AKDM4EKMT2AHPGD

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
US-6071930-A FOR INHIBITION OF MITOSIS OR TUMOR GROWTH THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-06-06 US disclosed
US-5994367-A PREVENT CELL MITOSIS; ANTICARCINOGENIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-11-30 US disclosed