SCHEMBL9761065

SCHEMBL9761065

CS(=O)(=O)Nc1ccc(OCC2CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
AR P10275 1/20 0.56
HPGD P15428 1/20 0.56
GRIN2B Q13224 9/20 0.53
CYP2D6 P10635 4/20 0.52
CYP2C9 P11712 4/20 0.52
NPY2R P49146 1/20 0.52
F13A1 P00488 2/20 0.50
TGM2 P21980 2/20 0.50
TGM1 P22735 2/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
MMP7 P09237 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
CYP3A4 P08684 3/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL13450952 0.84 GRIN2B (0.71) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL5364470 0.82 TPSAB1 (0.62) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL9760056 0.82 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL13439706 0.81 GRIN2B (0.61) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL6593704 0.80 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL13168269 0.80 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL460173 0.80 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL387354 0.79 GPR119 (0.56) MMP1MMP2MMP3MMP7MMP9
SCHEMBL7035676 0.79 GRIN2B (0.58) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL3554740 0.78 SIGMAR1 (0.57) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6

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
US-5057528-A AMINO-PYRIDINE COMPOUNDS USEFUL AS ANTI-ARRHYTHMIC AGENTS PFIZER INC. (US) 1991-10-15 US disclosed
US-4968704-A PROLONG DURATION OF ACTION POTENTIAL IN CARDIAC MUSCLE AND CONDUCTING TISSUE PFIZER INC. (US) 1990-11-06 US disclosed
EP-0359389-A1 Antiarrhythmic agents Pfizer Limited (GB) 1990-03-21 EP disclosed