SCHEMBL10695576

SCHEMBL10695576

N#Cc1nc(-c2ccc(Cl)cc2)[nH]c1C#N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.47
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
GAA P10253 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
RHEB Q15382 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK13 O15264 1/20 0.41
GCGR P47871 1/20 0.41
MAPK12 P53778 1/20 0.41

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) RHEBMAPK13GCGRMAPK12MAPK11
SCHEMBL28533254 0.83 MMP3 (0.41) ALDH1A1HPGDGAAALOX12MAPK13
SCHEMBL10697291 0.83 ERBB2 (0.47) ERBB2MAPK1KDM4EALDH1A1HPGD
SCHEMBL10696417 0.83 ALDH1A1 (0.44) MAPK1KDM4EALDH1A1HPGDGAA
SCHEMBL10696735 0.83 ERBB2 (0.47) ERBB2MAPK1ALDH1A1MAPK13GCGR
SCHEMBL10697336 0.83 ERBB2 (0.47) ERBB2KDM4EALDH1A1HPGDGAA
SCHEMBL7074324 0.82 ALDH1A1 (0.49) ERBB2MAPK1ALDH1A1HPGDGAA
SCHEMBL10696178 0.82 ALOX15 (0.45) HPGDNPC1RAB9AALOX15RHEB
SCHEMBL10695348 0.81 GAA (0.47) KDM4EALDH1A1HPGDGAAALOX15
SCHEMBL10696383 0.79 HPGD (0.50) MAPK1KDM4EALDH1A1HPGDGAA

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