SCHEMBL3397506

SCHEMBL3397506

CCOc1ccc(S(=O)(=O)N(c2ccc(C)cc2)C(C=O)NN)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 3/20 0.44
OXTR P30559 4/20 0.44
AVPR1A P37288 2/20 0.43
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL3369941 0.79 OXTR (0.54) CNR2KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3366190 0.79 OXTR (0.54) CNR2KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3369962 0.76 OXTR (0.55) CNR2KMT2AALDH1A1LMNAOXTR
SCHEMBL5644407 0.75 OXTR (0.57) CNR2KMT2AALDH1A1LMNAOXTR
SCHEMBL3366811 0.75 KMT2A (0.47) CNR2KMT2ALMNAOXTRAVPR1A
SCHEMBL10356049 0.75 CNR2 (0.51) CNR2KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3367804 0.72 KMT2A (0.48) CNR2KMT2ALMNAOXTRAVPR1A
SCHEMBL7141942 0.72 OXTR (0.48) CNR2KMT2AALDH1A1LMNAOXTR
SCHEMBL5333494 0.71 ALDH1A1 (0.58) CNR2KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3365552 0.71 MAPT (0.62) KMT2AALDH1A1LMNAOXTRAVPR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335901-B1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES MERCK SERONO SA (CH) 2010-04-14 EP claimed