Sugi Predict

Sugi Predict / Compounds / SCHEMBL9753490

SCHEMBL9753490

SCHEMBL9753490

CC(C)c1c(/C=C/C=O)c(-c2ccc(F)cc2)nn2c(-c3ccccc3)ccc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ HMGCR P04035 4/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31

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
SCHEMBL9753491 1.00 POLB (0.34) POLBHMGCRPTGS2KDM5BPIK3CD
SCHEMBL9753408 0.89 POLB (0.39) POLBHMGCRPTGS2KDM5B
SCHEMBL9752990 0.87 KDM5B (0.34) POLBHMGCRPTGS2KDM5B
SCHEMBL9752989 0.87 KDM5B (0.34) POLBHMGCRPTGS2KDM5B
SCHEMBL9753686 0.85 MAPK14 (0.40) POLBPTGS2KDM5BKMT2A
SCHEMBL9753682 0.85 MAPK14 (0.40) POLBPTGS2KDM5BKMT2A
SCHEMBL9753463 0.84 PTGS2 (0.34) PTGS2KDM5B
SCHEMBL9753226 0.84 MAPK14 (0.39) PTGS2KDM5BKMT2A
SCHEMBL9753466 0.84 PTGS2 (0.34) PTGS2KDM5B
SCHEMBL9753228 0.84 MAPK14 (0.39) PTGS2KDM5BKMT2A

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