SCHEMBL8196299

SCHEMBL8196299

COc1ccc(-c2cnc(N)[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.64
SCN10A Q9Y5Y9 1/20 0.62
SCN2A Q99250 1/20 0.59
MASP2 O00187 1/20 0.59
DYRK1A Q13627 2/20 0.51
CCNB2 O95067 2/20 0.47
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
CCNB3 Q8WWL7 2/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
MAPT P10636 3/20 0.47
SCN4A P35499 1/20 0.47
RIPK1 Q13546 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 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
SCHEMBL4064398 0.84 LTA4H (0.48) LTA4HSCN10ASCN2AMASP2DYRK1A
Hydrochloric Acid SCHEMBL4298486 0.83 LTA4H (0.47) LTA4HSCN10ASCN2AMASP2DYRK1A
SCHEMBL16324218 0.80 NPY5R (0.60) LTA4HSCN10ASCN2AMASP2DYRK1A
SCHEMBL1181922 0.80 SCN2A (0.87) SCN10ASCN2ACCNB2CDK1CCNB1
SCHEMBL17269665 0.80 SCN2A (0.61) SCN10ASCN2ADYRK1ACCNB2CDK1
SCHEMBL4064403 0.79 SMN1; SMN2 (0.57) MAPTKMT2ANPC1RAB9AKDM4E
SCHEMBL4053949 0.79 MASP2 (0.70) LTA4HSCN10ASCN2AMASP2MAPT
SCHEMBL10570411 0.79 SCN2A (0.59) SCN10ASCN2ADYRK1ACCNB2CDK1
SCHEMBL25834553 0.78 SCN10A (0.57) SCN10ASCN2ADYRK1ACCNB2CDK1
Hydrochloric Acid SCHEMBL4298488 0.78 SMN1; SMN2 (0.56) MAPTKMT2ANPC1RAB9AKDM4E

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
WO-2000006552-A1 4-PHENYL- AND 4,5-DIPHENYLIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION SANOFI-SYNTHELABO (FR) 2000-02-10 WO disclosed