SCHEMBL9106035

SCHEMBL9106035

C#CCn1c(=O)c(C(=O)O)nc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP3A4 P08684 1/20 0.56
HTT P42858 1/20 0.56
CYP1A2 P05177 1/20 0.51
GLA P06280 1/20 0.51
CYP2D6 P10635 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
APEX1 P27695 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
SCHEMBL28285612 0.84 MAPK1 (0.52) MAPK1CASP1CASP7ALDH1A1MAPT
SCHEMBL2783060 0.82 ALDH1A1 (0.54) MAPK1CASP1CASP7ALDH1A1MAPT
SCHEMBL9107325 0.81 MAPK1 (0.61) MAPK1CASP1CASP7ALDH1A1MAPT
SCHEMBL6579407 0.80 CFTR (0.63) MAPK1CASP1CASP7ALDH1A1MAPT
SCHEMBL5717623 0.80 ALDH1A1 (0.67) MAPK1CASP1CASP7ALDH1A1MAPT
SCHEMBL9103612 0.79 MAPK1 (0.62) MAPK1CASP1CASP7ALDH1A1MAPT
SCHEMBL8861179 0.79 ALDH1A1 (0.70) MAPK1CASP1CASP7ALDH1A1MAPT
SCHEMBL28458600 0.78 KDM4E (0.57) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL28714809 0.75 TP53 (0.46) MAPK1CASP1CASP7ALDH1A1MAPT
SCHEMBL7416308 0.74 ALDH1A1 (0.60) MAPK1CASP1CASP7ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2174934-B1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2012-06-06 EP disclosed
CN-101778832-A Oxopyrazine derivative and weedicide KUMIAI CHEMICAL INDUSTRY CO 2010-07-14 CN disclosed