SCHEMBL8356540

SCHEMBL8356540

COC(=O)c1cc(S(=O)(=O)N(C)C)c2ccccc2c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.56
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACLY P53396 1/20 0.39
BCL2L1 Q07817 1/20 0.39
NR4A2 P43354 1/20 0.38
CREBBP Q92793 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
SCHEMBL8112005 0.88 MCL1 (0.68) MCL1KDM4EALDH1A1HPGDFABP4
SCHEMBL7774895 0.83 ALDH1A1 (0.57) MCL1KDM4EALDH1A1HPGDNPSR1
SCHEMBL7774891 0.82 KDM4E (0.52) MCL1KDM4EALDH1A1HPGDNPSR1
SCHEMBL8967057 0.77 KDM4E (0.56) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL30076588 0.77 MCL1 (0.83) MCL1KDM4EALDH1A1HPGDNPSR1
SCHEMBL18392304 0.77 MCL1 (0.83) MCL1KDM4EALDH1A1HPGDNPSR1
SCHEMBL9054177 0.76 MCL1 (0.60) MCL1KDM4EKMT2AFABP4FABP5
SCHEMBL6627930 0.76 CA1 (0.65) MCL1KDM4EALDH1A1NPSR1L3MBTL1
SCHEMBL3741758 0.75 KDM4E (0.60) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL8966782 0.74 KDM4E (0.59) KDM4EALDH1A1HPGDNPSR1L3MBTL1

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-5958945-A PSYCHOLOGICAL DISORDERS PIERRE FABRE MEDICAMENT (FR) 1999-09-28 US disclosed