SCHEMBL5643243

SCHEMBL5643243

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 1/20 0.43
PTGER1 P34995 1/20 0.42
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
AKR1C2 P52895 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HTT P42858 2/20 0.36
EYA2 O00167 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AKR1C3 P42330 1/20 0.36

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
SCHEMBL3364023 0.89 TRPM5 (0.44) ALDH1A1MAPTHPGDPTGER1MAPK1
SCHEMBL3367784 0.80 SMN1; SMN2 (0.37) MAPTMAPK1CA12CA1CA2
SCHEMBL3367790 0.76 HDAC1 (0.41) LMNAAKR1C2HTTSMN1; SMN2KMT2A
SCHEMBL1856515 0.72 MAPT (0.44) ALDH1A1MAPTPTGER1MAPK1LMNA
SCHEMBL5643236 0.71 MAPT (0.62) ALDH1A1MAPTHPGDPTGER1LMNA
SCHEMBL5643240 0.71 MAPT (0.62) ALDH1A1MAPTHPGDPTGER1LMNA
SCHEMBL3366543 0.69 TP53 (0.48) ALDH1A1MAPTPTGER1SMN1; SMN2MEN1
SCHEMBL3366546 0.67 TP53 (0.49) ALDH1A1MAPTPTGER1SMN1; SMN2MEN1
SCHEMBL1858551 0.66 MAPT (0.41) ALDH1A1MAPTPTGER1MAPK1LMNA
SCHEMBL31612237 0.65 AKR1C2 (0.75) ALDH1A1MAPTAKR1C2HTTGAA

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
US-7312358-B2 Pharmaceutically active sulfanilide derivatives LABORATOIRES SERONO SA (CH) 2007-12-25 US disclosed