Sugi Predict

Sugi Predict / Compounds / SCHEMBL5314824

SCHEMBL5314824

SCHEMBL5314824

Cc1nn(Cc2cccc3nsnc23)c(=O)c(CCc2cccc(F)c2)c1-c1cccc(F)c1O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 15/20 0.38
▸ NR1I2 O75469 5/20 0.36
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ PKLR P30613 1/20 0.32
▸ RXFP1 Q9HBX9 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
SCHEMBL5307646 0.91 CASR (0.46) CASRCHRM1RXFP1
SCHEMBL5308899 0.90 GNRHR (0.35) CASRHPGDTSHRCHRM1PKM
SCHEMBL5310887 0.85 LMNA (0.38) CASR
SCHEMBL5316086 0.79 CASR (0.41) CASRNR1I2PKMRXFP1
SCHEMBL5311945 0.78 CASR (0.46) CASRCHRM1
SCHEMBL5310145 0.77 CASR (0.51) CASRHPGDCHRM1PKM
SCHEMBL5307986 0.76 CASR (0.45) CASRNR1I2
SCHEMBL5309986 0.76 CASR (0.49) CASRCHRM1RXFP1
SCHEMBL5309926 0.76 CASR (0.49) CASRRXFP1
SCHEMBL5311950 0.76 GNRHR (0.37) CASRCHRM1

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