SCHEMBL9753345

SCHEMBL9753345

C=CCc1ccc2c(C(C)C)c(C=O)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.33
KMT2A Q03164 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GCGR P47871 1/20 0.31
POLB P06746 1/20 0.31
PTGS1 P23219 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
SCHEMBL9753351 0.90 PTGS2 (0.32) PTGS2KDM5B
SCHEMBL9753644 0.88 PTGS2 (0.36) PTGS2KMT2AKDM5BALDH1A1POLB
SCHEMBL9753426 0.83 GCGR (0.40) KDM5BALDH1A1MAPTCYP2C9HPGD
SCHEMBL9752928 0.82 MAPK14 (0.43) PTGS2KMT2AKDM5BALDH1A1POLB
SCHEMBL9753416 0.82 POLB (0.37) PTGS2KMT2AKDM5BALDH1A1POLB
SCHEMBL9753119 0.81 PTGS2 (0.36) PTGS2KMT2AKDM5BALDH1A1POLB
SCHEMBL9753114 0.81 MAPK14 (0.42) PTGS2KMT2AKDM5BALDH1A1POLB
SCHEMBL9753104 0.79 HMGCR (0.49) PTGS2ALDH1A1CYP2C9
SCHEMBL9753217 0.79 HMGCR (0.38) ALDH1A1
SCHEMBL9753223 0.79 HMGCR (0.38) ALDH1A1

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