SCHEMBL2655019

SCHEMBL2655019

Cc1ccc(C)n1-c1ccc(Nc2cccc(-n3ccnc3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
ABL1 P00519 1/20 0.42
PDGFRB P09619 1/20 0.42
BCR P11274 1/20 0.42
SRC P12931 1/20 0.42
PDGFRA P16234 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCD Q05655 1/20 0.42
MAPT P10636 6/20 0.41
IDO1 P14902 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LRRK2 Q5S007 1/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37

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
SCHEMBL2654269 0.89 EGFR (0.46) EGFRABL1PDGFRBBCRSRC
SCHEMBL2657091 0.82 ABL1 (0.43) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL2649704 0.78 ABL1 (0.45) EGFRABL1PDGFRBBCRSRC
SCHEMBL2654297 0.78 SYK (0.41) EGFRABL1PDGFRBBCRSRC
SCHEMBL7820033 0.78 ABL1 (0.44) EGFRABL1PDGFRBBCRSRC
SCHEMBL2654345 0.78 ABL1 (0.40) EGFRABL1PDGFRBBCRSRC
SCHEMBL8462955 0.74 VCP (0.38) MAPTL3MBTL1KDM4EALDH1A1LRRK2
SCHEMBL10902263 0.73 MAPT (0.47) MAPTIDO1ALDH1A1
SCHEMBL1839319 0.73 HPGD (0.51) MAPTIDO1HPGD
SCHEMBL6803583 0.71 EGFR (0.50) EGFRABL1PDGFRBBCRSRC

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-0821683-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2006-11-02 EP disclosed
EP-0821683-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
WO-1996033192-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO disclosed