SCHEMBL9752958

SCHEMBL9752958

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GCGR P47871 9/20 0.37
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
POLB P06746 1/20 0.35
DHODH Q02127 1/20 0.35
STAT1 P42224 1/20 0.34
HMGCR P04035 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL9753771 0.86 GCGR (0.40) PTGDR2GCGR
SCHEMBL9753309 0.83 MAPK14 (0.43) PTGDR2GCGR
SCHEMBL9753336 0.82 MAPK14 (0.42) GCGR
SCHEMBL9752952 0.82 GCGR (0.39) GCGR
SCHEMBL9752927 0.82 PTGER1 (0.41) PTGDR2AKT1AKT2DHODHHMGCR
SCHEMBL9752983 0.81 GCGR (0.43) GCGR
SCHEMBL9753720 0.81 GCGR (0.38) GCGR
SCHEMBL9753406 0.81 GCGR (0.38) GCGR
SCHEMBL9753408 0.80 POLB (0.39) AKT1AKT2POLBHMGCR
SCHEMBL9753125 0.80 GCGR (0.37) PTGDR2GCGRPOLBHMGCR

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