SCHEMBL9752928

SCHEMBL9752928

Cc1ccc2c(C(C)C)c(C=O)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.43
PTGS2 P35354 9/20 0.39
KMT2A Q03164 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.34
PTGS1 P23219 1/20 0.34
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
KCNK3 O14649 1/20 0.32

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
SCHEMBL9753686 0.88 MAPK14 (0.40) MAPK14PTGS2KMT2AKDM5BPOLB
SCHEMBL9753682 0.88 MAPK14 (0.40) MAPK14PTGS2KMT2AKDM5BPOLB
SCHEMBL9752973 0.88 MAPK14 (0.43) MAPK14PTGS2KDM5BPTGS1CSNK1A1
SCHEMBL9753416 0.88 POLB (0.37) MAPK14PTGS2KMT2AKDM5BALDH1A1
SCHEMBL9753114 0.86 MAPK14 (0.42) MAPK14PTGS2KMT2AKDM5BALDH1A1
SCHEMBL9753119 0.86 PTGS2 (0.36) PTGS2KMT2AKDM5BALDH1A1POLB
SCHEMBL9752970 0.84 KDM5B (0.34) MAPK14PTGS2KMT2AKDM5BALDH1A1
SCHEMBL9753314 0.84 KDM5B (0.34) MAPK14PTGS2KMT2AKDM5BALDH1A1
SCHEMBL9753644 0.84 PTGS2 (0.36) MAPK14PTGS2KMT2AKDM5BALDH1A1
SCHEMBL9753408 0.83 POLB (0.39) MAPK14PTGS2KDM5BALDH1A1POLB

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