SCHEMBL3364023

SCHEMBL3364023

COc1ccc(C=C(C(=O)NN)N(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 2/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 2/20 0.43
PTGER1 P34995 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL5643243 0.89 ALDH1A1 (0.43) ALDH1A1MAPTHPGDPTGER1MEN1
SCHEMBL3366543 0.74 TP53 (0.48) ALDH1A1MAPTPTGER1MEN1KMT2A
SCHEMBL3366546 0.72 TP53 (0.49) ALDH1A1MAPTPTGER1MEN1KMT2A
SCHEMBL3364021 0.71 MAPT (0.62) TRPM5ALDH1A1MAPTHPGDPTGER1
SCHEMBL3364018 0.71 MAPT (0.62) TRPM5ALDH1A1MAPTHPGDPTGER1
SCHEMBL3364725 0.71 OXTR (0.52) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3364719 0.71 OXTR (0.52) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3399458 0.68 OXTR (0.50) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL31612237 0.65 AKR1C2 (0.75) TRPM5ALDH1A1MAPTMEN1KMT2A
SCHEMBL27778807 0.65 AKR1C2 (0.75) TRPM5ALDH1A1MAPTMEN1KMT2A

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-1335901-B1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES MERCK SERONO SA (CH) 2010-04-14 EP disclosed
US-7312358-B2 Pharmaceutically active sulfanilide derivatives LABORATOIRES SERONO SA (CH) 2007-12-25 US disclosed