SCHEMBL9753073

SCHEMBL9753073

CC(C)c1c(COC2CCCCO2)c(-c2ccc(F)cc2)nn2c(Br)ccc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
TGFBR1 P36897 2/20 0.31
TGFBR2 P37173 1/20 0.31
MAPK14 Q16539 2/20 0.31
GRIN2B Q13224 1/20 0.31
CSNK1D P48730 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL9752950 0.85 GABRA5 (0.34) GABRG2GABRB3GABRA5
SCHEMBL9752952 0.75 GCGR (0.39) TGFBR1TGFBR2CSNK1D
SCHEMBL6958480 0.68 GCGR (0.61)
SCHEMBL9753119 0.67 PTGS2 (0.36)
SCHEMBL9753357 0.66 PTGER1 (0.36) MAPK14CSNK1D
SCHEMBL5461774 0.65 RORC (0.40) L3MBTL1TGFBR1TGFBR2MAPK14GRIN2B
SCHEMBL9752951 0.64 LMNA (0.36) MAPK14CSNK1DGABRA5
SCHEMBL9753463 0.64 PTGS2 (0.34) MAPK14
SCHEMBL9753466 0.64 PTGS2 (0.34) MAPK14
SCHEMBL9753771 0.63 GCGR (0.40) TGFBR1TGFBR2

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