SCHEMBL5307649

SCHEMBL5307649

Cc1nn(C(Cc2ccccc2)c2cnsn2)c(=O)c(CCc2cccc(F)c2)c1-c1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 16/20 0.43
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN11 Q06124 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALDH1A3 P47895 1/20 0.33

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
SCHEMBL5314826 0.92 CASR (0.41) CASR
SCHEMBL5310889 0.89 MAOB (0.35) CASRALDH1A1ALDH1A3
SCHEMBL5308905 0.89 GNRHR (0.35) CASRALDH1A1ALDH1A3
SCHEMBL5311948 0.86 CASR (0.43) CASRPTPN2PTPN1PTPN6DUSP3
SCHEMBL5308386 0.81 CASR (0.54) CASRALDH1A1ALDH1A3
SCHEMBL5310667 0.81 CASR (0.42) CASRPTPN2PTPN1PTPN6DUSP3
SCHEMBL5313085 0.80 CASR (0.51) CASR
SCHEMBL5311952 0.77 GNRHR (0.37) CASR
SCHEMBL5312353 0.76 CASR (0.54) CASR
SCHEMBL5308152 0.75 CASR (0.58) 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 2 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