SCHEMBL10697291

SCHEMBL10697291

Cc1ccc(-c2nc(C#N)c(C#N)[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.47
DGAT1 O75907 1/20 0.45
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
TNKS O95271 2/20 0.40
PARP1 P09874 2/20 0.40
TNKS2 Q9H2K2 2/20 0.40
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 3/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPBWR1 P48145 1/20 0.37
NISCH Q9Y2I1 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
SCHEMBL18402405 0.84 RHEB (0.49) DGAT1PARP1
SCHEMBL10696735 0.83 ERBB2 (0.47) ERBB2ALDH1A1MAPK1TNKSPARP1
SCHEMBL10697336 0.83 ERBB2 (0.47) ERBB2ALDH1A1TNKSTNKS2RAB9A
SCHEMBL28533254 0.83 MMP3 (0.41) ALDH1A1TNKSPARP1TNKS2HPGD
SCHEMBL10695576 0.83 ERBB2 (0.47) ERBB2ALDH1A1MAPK1TNKSPARP1
SCHEMBL10696417 0.83 ALDH1A1 (0.44) ALDH1A1MAPK1TNKSPARP1TNKS2
SCHEMBL7074324 0.82 ALDH1A1 (0.49) ERBB2ALDH1A1MAPK1TNKSPARP1
SCHEMBL10696383 0.82 HPGD (0.50) ALDH1A1MAPK1TNKSPARP1TNKS2
Hydrochloric Acid SCHEMBL10694084 0.81 NOX1 (0.44) PARP1RAB9AKDM4ENPC1MAPT
SCHEMBL10694064 0.79 DGAT1 (0.49) DGAT1TNKSPARP1TNKS2RAB9A

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
EP-0269238-A1 Imidazoles and their compositions for plant growth regulation MAY & BAKER LIMITED (GB) 1988-06-01 EP disclosed