SCHEMBL4453207

SCHEMBL4453207

CCc1ccc(Oc2ccc(S(=O)(=O)NCCCc3ncc[nH]3)cc2F)c(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.43
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
CYP19A1 P11511 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
NAMPT P43490 1/20 0.36
HTT P42858 1/20 0.36
SFRP1 Q8N474 1/20 0.35

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
SCHEMBL4453198 0.86 CYP19A1 (0.40) MAPTCYP19A1NAMPT
SCHEMBL3201561 0.84 SCN9A (0.47) SCN9AMAPTSMN1; SMN2MEN1GAA
SCHEMBL3214632 0.83 SCN9A (0.46) SCN9AMAPTSMN1; SMN2MEN1GAA
SCHEMBL3201301 0.82 SCN9A (0.48) SCN9AMAPTSMN1; SMN2MEN1GAA
SCHEMBL3210207 0.80 CYP19A1 (0.63) SCN9ASMN1; SMN2POLBCYP19A1
SCHEMBL3196894 0.75 SCN9A (0.44) SCN9ASMN1; SMN2MEN1GAAKMT2A
SCHEMBL13486211 0.73 BRD4 (0.42) MAPTSMN1; SMN2MEN1GAAKMT2A
SCHEMBL14386835 0.71 ALDH1A1 (0.53) SMN1; SMN2KMT2ACYP19A1HTT
SCHEMBL14387086 0.70 ALDH1A1 (0.55) SMN1; SMN2KMT2ACYP19A1HTT
SCHEMBL3204885 0.70 MRGPRX4 (0.43) MAPTSMN1; SMN2MEN1GAAKMT2A

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-2010495-A2 NEW HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF Mutabilis SA (FR) 2009-01-07 EP disclosed
WO-2007135562-A2 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF MUTABILIS S.A. (FR) 2007-11-29 WO disclosed