SCHEMBL9752927

SCHEMBL9752927

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.41
DHODH Q02127 6/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
HMGCR P04035 2/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL27349905 0.86 PTGER1 (0.38) PTGER1DHODHMEN1KMT2AKDM4E
SCHEMBL9753357 0.84 PTGER1 (0.36) PTGER1DHODHMEN1KMT2AKDM4E
SCHEMBL9753408 0.82 POLB (0.39) ALDH1A1AKT1AKT2HMGCR
SCHEMBL9752958 0.82 PTGDR2 (0.39) DHODHPTGDR2AKT1AKT2HMGCR
SCHEMBL9753363 0.82 DHODH (0.38) PTGER1DHODHKDM4EALDH1A1HMGCR
SCHEMBL9753490 0.78 POLB (0.34) KMT2AHMGCR
SCHEMBL9753491 0.78 POLB (0.34) KMT2AHMGCR
SCHEMBL9752965 0.78 MAPK14 (0.43) PTGER1DHODHMEN1KMT2AALDH1A1
SCHEMBL9753311 0.75 HMGCR (0.42) ALDH1A1HMGCR
SCHEMBL9753296 0.75 HMGCR (0.51) ALDH1A1HMGCR

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