SCHEMBL14035178

SCHEMBL14035178

Cc1ccc(C(=O)O)c2[nH]cnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.44
KDM4C Q9H3R0 2/20 0.44
PARP1 P09874 2/20 0.40
ADRA2A P08913 1/20 0.38
CLCN2 P51788 1/20 0.38
KDM5B Q9UGL1 2/20 0.38
PDPK1 O15530 1/20 0.38
NOTUM Q6P988 1/20 0.37
IP6K1 Q92551 1/20 0.37
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36

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
SCHEMBL1355302 0.86 PDPK1 (0.38) KDM5AKDM4CPARP1ADRA2ACLCN2
SCHEMBL11662555 0.85 KDM4C (0.49) KDM5AKDM4CPARP1KDM5BIP6K1
SCHEMBL14347857 0.85 PARP1 (0.49) PARP1PDPK1
SCHEMBL15320923 0.82 NR4A2 (0.43) PARP1KDM4EHPGD
SCHEMBL31523166 0.79 KDM4C (0.44) KDM5AKDM4CPARP1KDM5BIP6K1
SCHEMBL18225451 0.79 KDM5A (0.59) KDM5AKDM4CPARP1ADRA2ACLCN2
SCHEMBL18224638 0.79 KDM5A (0.44) KDM5AKDM4CPARP1ADRA2ACLCN2
SCHEMBL18226663 0.79 PARP1 (0.44) KDM5AKDM4CPARP1KDM5BNOTUM
SCHEMBL4560164 0.77 PARP1 (0.46) PARP1PDPK1ALDH1A1HSD17B10
SCHEMBL10111018 0.75 KDM4E (0.39) KDM5AKDM4CPARP1KDM5BPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594862-B1 METHODS OF MAKING 6-[ (4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-] -7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM UNIV NEBRASKA (US) 2008-11-19 EP disclosed
US-7304084-B2 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2007-12-04 US disclosed
US-7304084-B2 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2007-12-04 US disclosed