SCHEMBL9752977

SCHEMBL9752977

CC(C)c1c(C=CC=O)c(-c2ccc(F)cc2Cl)nn2cccc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
HSD11B1 P28845 1/20 0.32
MAPK14 Q16539 4/20 0.32
MAPK13 O15264 3/20 0.31
MAPK12 P53778 3/20 0.31
MAPK11 Q15759 3/20 0.31
SPR P35270 1/20 0.31
NR3C2 P08235 2/20 0.31
JAK2 O60674 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL9752975 1.00 TP53 (0.34) TP53HSD11B1MAPK14MAPK13MAPK12
SCHEMBL9753497 0.90 MAPK14 (0.31) MAPK14MAPK13MAPK12MAPK11
SCHEMBL9753499 0.90 MAPK14 (0.31) MAPK14MAPK13MAPK12MAPK11
SCHEMBL9753400 0.90 TP53 (0.36) TP53HSD11B1MAPK14MAPK13MAPK12
SCHEMBL9753160 0.83 MAPK14 (0.41) MAPK14
SCHEMBL9753157 0.83 MAPK14 (0.41) MAPK14
SCHEMBL9752930 0.82 PTGS2 (0.34) MAPK14SPR
SCHEMBL9752932 0.82 PTGS2 (0.34) MAPK14SPR
SCHEMBL9753670 0.80 HMGCR (0.34)
SCHEMBL9753663 0.80 HMGCR (0.34)

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