SCHEMBL9753035

SCHEMBL9753035

Cc1cc(-c2ccccc2)c2c(C(C)C)c(/C=C/C=O)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
PTGS2 P35354 2/20 0.35
POLB P06746 3/20 0.33
STAT1 P42224 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
HMGCR P04035 4/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
CASP3 P42574 1/20 0.32
BLM P54132 1/20 0.32
NCOA1 Q15788 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL9753037 1.00 AKT1 (0.36) AKT1AKT2PTGS2POLBSTAT1
SCHEMBL9752959 0.90 POLB (0.38) AKT1AKT2PTGS2POLBSTAT1
SCHEMBL9753676 0.88 PTGS2 (0.37) PTGS2KMT2ANPC1
SCHEMBL9753671 0.88 PTGS2 (0.37) PTGS2KMT2ANPC1
SCHEMBL9753411 0.80 HMGCR (0.53) HMGCR
SCHEMBL9753319 0.80 HMGCR (0.43) HMGCR
SCHEMBL9753326 0.80 HMGCR (0.43) HMGCR
SCHEMBL9753490 0.80 POLB (0.34) PTGS2POLBHMGCRKMT2AATM
SCHEMBL9753491 0.80 POLB (0.34) PTGS2POLBHMGCRKMT2AATM
SCHEMBL9753682 0.79 MAPK14 (0.40) PTGS2POLBKMT2A

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
WO-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO disclosed