SCHEMBL9753107

SCHEMBL9753107

CCOC(=O)c1c(-c2ccc(F)cc2)nn2c(Br)ccc2c1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 5/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.42
PRKCZ Q05513 1/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS2 P35354 1/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRM6 O15303 1/20 0.39
ALOX5 P09917 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9752976 0.89 KDM4E (0.43) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL9752984 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL9753110 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL9753357 0.85 PTGER1 (0.36) ALDH1A1KDM4EMEN1KMT2APTGS2
SCHEMBL9752966 0.84 DGAT1 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL5089841 0.83 GCGR (0.43) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL9753651 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL9752981 0.82 DGAT1 (0.40) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL9752865 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL9752936 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDMAPTNPSR1

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