SCHEMBL28037403

SCHEMBL28037403

N#Cc1ccc(-c2ccn(C3CC3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
USP30 Q70CQ3 1/20 0.39
KDM1A O60341 1/20 0.38
HSD11B1 P28845 7/20 0.38
AR P10275 1/20 0.37
PDE4A P27815 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CHEK1 O14757 1/20 0.36
ALDH1A3 P47895 1/20 0.35
F2RL3 Q96RI0 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
SCHEMBL20456692 0.74 CYP11B1 (0.35) KDM4EAR
SCHEMBL28037273 0.74 KEAP1 (0.58) GAANPC1RAB9ACHEK1F2RL3
SCHEMBL2579099 0.74 CREBBP (0.45) NPC1RAB9AKDM1AHSD11B1
SCHEMBL3418909 0.72 KEAP1 (0.51) KDM4ENPC1RAB9A
SCHEMBL25302131 0.72 MEN1 (0.44) KDM4EKDM1AAR
SCHEMBL30509992 0.72 MEN1 (0.44) KDM4EKDM1AAR
SCHEMBL4503250 0.71 PLAUR (0.55)
SCHEMBL30510017 0.70 CYP11B1 (0.41) KDM4EKDM1AAR
SCHEMBL25380379 0.70 CYP11B1 (0.41) KDM4EKDM1AAR
SCHEMBL29152983 0.70 KMT2A (0.47) NPC1RAB9AAR

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
CN-105164124-A Compounds and compositions for treating parasitic diseases NOVARTIS AG 2015-12-16 CN disclosed