SCHEMBL11564100

SCHEMBL11564100

Cc1[nH]c(-c2ccccc2)nc1C(=O)c1nc(-c2ccccc2)[nH]c1C

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 9/20 0.81
SLC9A1 P19634 1/20 0.59
CYP1A2 P05177 1/20 0.57
MAPK1 P28482 1/20 0.57
CASP1 P29466 1/20 0.57
CYP2C19 P33261 1/20 0.57
MAPT P10636 3/20 0.56
ERCC1 P07992 2/20 0.53
FEN1 P39748 2/20 0.53
ERCC4 Q92889 2/20 0.53
RNASEH1 O60930 1/20 0.53
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
KCNH2 Q12809 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPY5R Q15761 1/20 0.47
HPGDS O60760 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
SCHEMBL316552 0.89 PIN1 (1.00) PIN1SLC9A1CYP1A2MAPK1CASP1
SCHEMBL5918226 0.88 PIN1 (0.78) PIN1SLC9A1CYP1A2MAPK1CASP1
SCHEMBL27475261 0.84 PIN1 (0.68) PIN1SLC9A1CYP1A2MAPK1CASP1
SCHEMBL8964151 0.83 PIN1 (0.71) PIN1SLC9A1CYP1A2MAPK1CASP1
SCHEMBL8963968 0.82 PIN1 (0.69) PIN1SLC9A1CYP1A2MAPK1CASP1
SCHEMBL8963591 0.80 PIN1 (0.66) PIN1SLC9A1CYP1A2MAPK1CASP1
SCHEMBL10938735 0.80 PIN1 (0.57) PIN1SLC9A1MAPTNPY5R
SCHEMBL11564804 0.79 PIN1 (0.64) PIN1SLC9A1CYP1A2MAPK1CASP1
SCHEMBL11564801 0.79 PIN1 (0.64) PIN1SLC9A1CYP1A2MAPK1CASP1
SCHEMBL10858310 0.78 PIN1 (0.62) PIN1SLC9A1CYP1A2MAPK1CASP1

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
US-4168964-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1979-09-25 US disclosed