SCHEMBL9550323

SCHEMBL9550323

N#CN1C(=O)c2ccccc2C1=O.N#CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
POLB P06746 1/20 0.43
PIM1 P11309 1/20 0.43
CASP3 P42574 1/20 0.41
CYP1A2 P05177 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
EHMT1 Q9H9B1 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CDC25B P30305 1/20 0.39
GLS O94925 1/20 0.39
DRD3 P35462 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL9143697 1.00 CA12 (0.43) CA12CA9POLBPIM1CASP3
SCHEMBL9550468 0.81 ERCC1 (0.57) CYP1A2MEN1KMT2AALDH1A1
SCHEMBL5340450 0.79 POLB (0.46) CA12CA9POLBCASP3CYP1A2
SCHEMBL11069735 0.77 POLB (0.44) CA12CA9POLBCASP3CYP1A2
SCHEMBL9550344 0.76 DDB1 (0.40) CA9CYP1A2MEN1KMT2ARAB9A
SCHEMBL9550365 0.76 RNASEH1 (0.56) POLBCASP3MEN1KMT2AALDH1A1
SCHEMBL9550316 0.76 ESR1 (0.51) CA9POLBMEN1KMT2AALDH1A1
SCHEMBL9728136 0.76 CES1 (0.52) ALDH1A1
SCHEMBL29350375 0.75 POLB (0.43) CA12CA9POLBCASP3CYP1A2
SCHEMBL1414506 0.75 POLB (0.43) CA12CA9POLBCASP3CYP1A2

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-5216173-A Curing agents for epoxy resins; polyimides HENKEL RESEARCH CORPORATION (US) 1993-06-01 US disclosed