SCHEMBL14540918

SCHEMBL14540918

O=C(OCc1ccccc1)N1CCN(S(=O)(=O)CI)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.62
TSHR P16473 2/20 0.62
GAA P10253 1/20 0.62
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
TGM2 P21980 9/20 0.54
TGM1 P22735 8/20 0.54
F13A1 P00488 7/20 0.54
TGM3 Q08188 1/20 0.52
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL2954213 0.86 TSHR (0.63) CYP2C19TSHRGAAMEN1KMT2A
SCHEMBL6237772 0.85 MEN1 (0.61) CYP2C19TSHRGAAMEN1KMT2A
SCHEMBL7393652 0.84 MEN1 (0.76) CYP2C19TSHRGAAMEN1KMT2A
SCHEMBL4814264 0.84 MEN1 (0.76) CYP2C19TSHRGAAMEN1KMT2A
SCHEMBL3970912 0.84 MEN1 (0.76) CYP2C19TSHRGAAMEN1KMT2A
SCHEMBL379160 0.84 MEN1 (0.76) CYP2C19TSHRGAAMEN1KMT2A
SCHEMBL13269785 0.83 MEN1 (0.59) CYP2C19TSHRGAAMEN1KMT2A
SCHEMBL15011579 0.82 MEN1 (0.73) CYP2C19TSHRGAAMEN1KMT2A
Bicarbonate SCHEMBL4357688 0.82 MEN1 (0.73) CYP2C19TSHRGAAMEN1KMT2A
SCHEMBL10064223 0.82 TGM2 (0.70) CYP2C19TSHRGAAMEN1KMT2A

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-2007039580-A1 IMIDAZOLYL-SUBSTITUTED BENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 WO disclosed
WO-2007039578-A1 IMIDAZOLYL-SUBSTITUTED AZABENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 WO disclosed
WO-2007039581-A1 IMIDAZOLYL-SUBSTITUTED DIAZABENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 WO disclosed