SCHEMBL8374902

SCHEMBL8374902

Cc1nc2cccc(N)n2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
NOS3 P29474 2/20 0.40
NOS2 P35228 2/20 0.40
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37
ALDH1A1 P00352 5/20 0.37
RAB9A P51151 4/20 0.34
KDM4E B2RXH2 3/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 2/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CHEK1 O14757 1/20 0.33
LTK P29376 1/20 0.33
GRK5 P34947 1/20 0.33

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
SCHEMBL18754397 0.81 HTT (0.58) HTTALDH1A1RAB9AKDM4ECYP1A2
SCHEMBL11157649 0.78 HTT (0.42) HTTNOS3NOS2ALDH1A1RAB9A
Bromide SCHEMBL10919771 0.76 HTT (0.49) HTTALDH1A1RAB9AKDM4ECYP1A2
SCHEMBL8377550 0.74 KMT2A (0.55) HTTALDH1A1RAB9AKDM4ECYP1A2
SCHEMBL8377547 0.74 KMT2A (0.44) HTTALDH1A1RAB9AKDM4ECYP1A2
SCHEMBL8373773 0.69 ALDH1A1 (0.40) HTTNOS3NOS2CDK4CDK2
SCHEMBL8378700 0.69 CSNK1A1 (0.36) HTTNOS3NOS2CDK4CDK2
SCHEMBL11877443 0.69 MAPK1 (0.60) ALDH1A1RAB9AKDM4ECYP1A2CYP2C19
SCHEMBL2193253 0.67 L3MBTL1 (0.44) HTTRAB9ACYP1A2SMN1; SMN2NPC1
SCHEMBL16506921 0.67 HTT (0.43) HTTALDH1A1RAB9AKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0930062-A1 Compositions containing imidazo-pyridine derivatives for dying keratinous fibres and process L'OREAL (FR) 1999-07-21 EP claimed
US-5980585-A NONTOXIC; HAIR DYE L'OREAL (FR) 1999-11-09 US disclosed
EP-0930062-A1 Compositions containing imidazo-pyridine derivatives for dying keratinous fibres and process L'OREAL (FR) 1999-07-21 EP disclosed
EP-0841904-A1 ORAL PHARMACEUTICAL COMPOSITIONS WITH DELAYED RELEASE OF REVERSIBLE PROTON PUMP INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1998-05-20 EP disclosed
WO-1997002021-A1 ORAL PHARMACEUTICAL COMPOSITIONS WITH DELAYED RELEASE OF REVERSIBLE PROTON PUMP INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-01-23 WO disclosed
US-3936435-A Cationic heterocyclic-azo-heterocyclic compounds from 5-aminoimidazo-(1,2-A)pyridines EASTMAN KODAK COMPANY (US) 1976-02-03 US disclosed