SCHEMBL10694557

SCHEMBL10694557

COc1cccc(-c2nc(C#N)c(C#N)[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
AURKA O14965 1/20 0.50
NR1I2 O75469 1/20 0.49
CYP1A2 P05177 1/20 0.49
VDR P11473 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
AHR P35869 1/20 0.49
NR1I3 Q14994 1/20 0.49
PIN1 Q13526 1/20 0.49
PARP1 P09874 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL10696383 0.82 HPGD (0.50) HPGDMEN1KMT2AAURKAPARP1
SCHEMBL10697507 0.80 PARP1 (0.60) HPGDMEN1HTTKMT2ANPSR1
SCHEMBL10697175 0.80 DCUN1D1 (0.46) HPGDMEN1HTTKMT2AKDM4E
SCHEMBL10694148 0.78 MGAM (0.47) HPGDNPSR1PIN1KDM4EGAA
SCHEMBL10695348 0.78 GAA (0.47) HPGDHTTPIN1PARP1KDM4E
SCHEMBL7074324 0.77 ALDH1A1 (0.49) HPGDMEN1HTTKMT2ACYP1A2
SCHEMBL3366984 0.74 CHEK2 (0.55) HPGDMEN1KMT2AALDH1A1GLA
SCHEMBL10696460 0.73 MAPT (0.55) MEN1HTTKMT2ACYP1A2CYP2C9
SCHEMBL20425475 0.72 PIN1 (0.66) AURKANR1I2CYP1A2VDRCYP2C9
SCHEMBL10697291 0.71 ERBB2 (0.47) HPGDPARP1KDM4EALDH1A1GAA

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