Sugi Predict

Sugi Predict / Compounds / SCHEMBL9753314

SCHEMBL9753314

SCHEMBL9753314

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 1/20 0.34
▸ PTGS2 P35354 6/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ HMGCR P04035 2/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ KCNK3 O14649 3/20 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
SCHEMBL9753389 0.89 KDM5B (0.32) KDM5BPTGS2PTGS1
SCHEMBL9753392 0.89 KDM5B (0.32) KDM5BPTGS2PTGS1
SCHEMBL9752928 0.84 MAPK14 (0.43) KDM5BPTGS2ALDH1A1POLBKMT2A
SCHEMBL9753416 0.84 POLB (0.37) KDM5BPTGS2ALDH1A1POLBKMT2A
SCHEMBL9753114 0.83 MAPK14 (0.42) KDM5BPTGS2ALDH1A1POLBKMT2A
SCHEMBL9753119 0.83 PTGS2 (0.36) KDM5BPTGS2ALDH1A1POLBKMT2A
SCHEMBL9753644 0.81 PTGS2 (0.36) KDM5BPTGS2ALDH1A1POLBKMT2A
SCHEMBL9752970 0.81 KDM5B (0.34) KDM5BPTGS2ALDH1A1POLBKMT2A
SCHEMBL9753408 0.81 POLB (0.39) KDM5BPTGS2ALDH1A1POLBHMGCR
SCHEMBL9753406 0.79 GCGR (0.38) KDM5B

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