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Sugi Predict / Compounds / SCHEMBL5310935

SCHEMBL5310935

SCHEMBL5310935

CCc1nn(C(C)C)c(=O)c(CCc2cccc(F)c2)c1-c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 15/20 0.48
▸ DAO P14920 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ ALDH1A3 P47895 1/20 0.35
▸ POLB P06746 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
SCHEMBL5308386 0.88 CASR (0.54) CASRDAOALDH1A1ALDH1A3
SCHEMBL5313086 0.87 GNRHR (0.40) CASR
SCHEMBL5310171 0.82 CASR (0.42) CASRPOLB
SCHEMBL5308119 0.82 CASR (0.48) CASRDAO
SCHEMBL5425459 0.81 CASR (0.43) CASRPOLB
SCHEMBL5313085 0.79 CASR (0.51) CASR
SCHEMBL5307986 0.78 CASR (0.45) CASRDAO
SCHEMBL5311327 0.77 CASR (0.52) CASRDAOALDH1A1ALDH1A3
SCHEMBL5311949 0.76 CASR (0.47) CASRPOLB
SCHEMBL5308844 0.76 CASR (0.55) CASR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 — — WO claimed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 — — WO disclosed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 — — WO disclosed