SCHEMBL27955163

SCHEMBL27955163

CNc1ccc(S(=O)(=O)c2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 7/20 0.54
▸ ABCC8 Q09428 7/20 0.54
▸ KCNJ11 Q14654 7/20 0.54
▸ KCNJ8 Q15842 7/20 0.54
▸ NAMPT P43490 3/20 0.52
▸ CNR2 P34972 1/20 0.50
▸ HTR6 P50406 2/20 0.46
▸ PTGDR2 Q9Y5Y4 2/20 0.44
▸ SLC22A12 Q96S37 3/20 0.44
▸ ALPL P05186 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL22954102 0.83 HTR6 (0.61) ABCC9ABCC8KCNJ11KCNJ8NAMPT
SCHEMBL13728197 0.77 NAMPT (0.49) ABCC9ABCC8KCNJ11KCNJ8NAMPT
SCHEMBL13728179 0.77 NAMPT (0.48) ABCC9ABCC8KCNJ11KCNJ8NAMPT
SCHEMBL10154346 0.75 ALPL (0.52) CNR2HTR6SLC22A12ALPLCYP1A2
SCHEMBL28835290 0.73 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8NAMPT
SCHEMBL27941960 0.73 ABCC9 (0.54) ABCC9ABCC8KCNJ11KCNJ8NAMPT
SCHEMBL2646108 0.73 ALPL (0.46) CNR2HTR6SLC22A12ALPL
SCHEMBL6972429 0.71 ALPL (0.47) CNR2HTR6SLC22A12ALPL
SCHEMBL3528957 0.71 ELANE (0.60) CNR2HTR6SLC22A12ALPL
SCHEMBL6735794 0.71 ALPL (0.51) HTR6SLC22A12ALPLMEN1CYP3A4

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
CN-103717574-B Novel compounds and compositions for the inhibition of nampt 福马TM有限责任公司 2017-02-22 — — CN disclosed
CN-103717574-A Novel compounds and compositions for the inhibition of nampt FORMA TM LLC 2014-04-09 — — CN disclosed
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