SCHEMBL3975674

SCHEMBL3975674

CN(C)S(=O)(=O)c1cnc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 2/20 0.44
RECQL P46063 2/20 0.44
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
GFER P55789 1/20 0.42
MDM2 Q00987 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3975671 0.86 HTT (0.46) HTTSMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL18184378 0.76
SCHEMBL1112185 0.71
SCHEMBL5508609 0.71
SCHEMBL19919837 0.71 ALDH1A1 (0.44) HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL20993528 0.71 ALDH1A1 (0.44) HTTSMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL28072114 0.70 ALDH1A1 (0.47) HTTSMN1; SMN2ALDH1A1RECQLPOLB
SCHEMBL7299085 0.69 ALDH1A1 (0.43) HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL20368086 0.68 ALDH1A1 (0.42) HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7355004 0.68 ALDH1A1 (0.42) HTTSMN1; SMN2ALDH1A1LMNA

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
EP-2057115-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
WO-2008024746-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA, INC. (US) 2008-02-28 WO disclosed