SCHEMBL9753031

SCHEMBL9753031

CC(C)c1c(C(=O)O)c(-c2ccc(F)cc2)nn2c(Br)cc(Cl)c12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPP1CA P62136 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ATM Q13315 1/20 0.36
DHODH Q02127 6/20 0.35
MARS1 P56192 1/20 0.34
PPARA Q07869 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
HMGCR P04035 1/20 0.32
RORC P51449 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
SCHEMBL9752981 0.86 DGAT1 (0.40) KMT2AMEN1KDM4E
SCHEMBL9753357 0.80 PTGER1 (0.36) KMT2AMEN1DHODHKDM5BKDM4E
SCHEMBL27529264 0.79 PPP1CA (0.37) PPP1CAKMT2AMEN1ATMDHODH
SCHEMBL27352605 0.79 KDM4E (0.38) KMT2AMEN1DHODHPPARAKDM5B
SCHEMBL9752966 0.75 DGAT1 (0.41) KMT2AMEN1KDM4E
SCHEMBL27349905 0.75 PTGER1 (0.38) KMT2AMEN1DHODHKDM5BKDM4E
SCHEMBL9753363 0.71 DHODH (0.38) DHODHKDM5BKDM4ECSNK1DCSNK1E
SCHEMBL9752927 0.71 PTGER1 (0.41) KMT2AMEN1DHODHKDM4EHMGCR
SCHEMBL9752965 0.69 MAPK14 (0.43) KMT2AMEN1DHODHKDM5B
SCHEMBL9753008 0.67 PTGS2 (0.32) KMT2AKDM5B

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