SCHEMBL10901799

SCHEMBL10901799

CCOC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.68
POLB P06746 3/20 0.65
MAPT P10636 1/20 0.64
ALDH1A1 P00352 2/20 0.60
HTT P42858 1/20 0.60
GAA P10253 2/20 0.58
HSD11B1 P28845 1/20 0.58
LSS P48449 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
GBA1 P04062 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL10900999 0.91 CYP2C9 (0.71) CYP2C9POLBALDH1A1HTTGAA
SCHEMBL10902432 0.88 CYP2C9 (0.67) CYP2C9POLBALDH1A1HTTGAA
SCHEMBL28919053 0.84 MAPT (0.61) CYP2C9POLBMAPTALDH1A1HTT
SCHEMBL10901022 0.82 CYP2C9 (0.66) CYP2C9POLBALDH1A1HTTGAA
SCHEMBL10901819 0.81 HSD11B1 (0.64) POLBMAPTALDH1A1HTTGAA
SCHEMBL28352130 0.81 CYP2C9 (0.80) CYP2C9POLBMAPTALDH1A1HTT
SCHEMBL28355402 0.81 CYP2C9 (0.80) CYP2C9POLBMAPTALDH1A1HTT
SCHEMBL5250380 0.81 HSD11B1 (0.78) MAPTALDH1A1HTTGAAHSD11B1
SCHEMBL22015905 0.81 HPGD (0.65) CYP2C9MAPTALDH1A1HTTGAA
SCHEMBL20188098 0.81 HPGD (0.65) CYP2C9MAPTALDH1A1HTTGAA

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
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 US disclosed