SCHEMBL9752959

SCHEMBL9752959

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
PTGS2 P35354 4/20 0.37
AKT1 P31749 2/20 0.36
AKT2 P31751 2/20 0.36
ALDH1A1 P00352 1/20 0.36
STAT1 P42224 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK14 Q16539 1/20 0.34
DHODH Q02127 1/20 0.33
HMGCR P04035 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL9753035 0.90 AKT1 (0.36) POLBPTGS2AKT1AKT2STAT1
SCHEMBL9753037 0.90 AKT1 (0.36) POLBPTGS2AKT1AKT2STAT1
SCHEMBL9752971 0.86 PTGS2 (0.39) POLBPTGS2ALDH1A1MEN1KMT2A
SCHEMBL9753393 0.83 HMGCR (0.38) PTGS2ALDH1A1STAT1MEN1KMT2A
SCHEMBL9752978 0.81 DHODH (0.41) POLBAKT1AKT2STAT1CDK1
SCHEMBL9753326 0.79 HMGCR (0.43) HMGCR
SCHEMBL9753319 0.79 HMGCR (0.43) HMGCR
SCHEMBL9753411 0.79 HMGCR (0.53) ALDH1A1HMGCR
SCHEMBL9753408 0.78 POLB (0.39) POLBPTGS2AKT1AKT2ALDH1A1
SCHEMBL9753066 0.78 DGAT1 (0.46) ALDH1A1MEN1KMT2A

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
WO-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO disclosed
CN-1056690-A PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 1991-12-04 CN disclosed