SCHEMBL9258317

SCHEMBL9258317

Cc1cccc(C)c1NC(=O)CS[C@@H]1CCCC[C@H]1Sc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.41
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 4/20 0.40
CYP2C9 P11712 3/20 0.40
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
CYP1A2 P05177 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL9258314 1.00 KMT2A (0.44) KMT2AL3MBTL1ATMPOLBEPHX1
SCHEMBL9270452 0.91 KMT2A (0.46) KMT2AL3MBTL1ATMPOLBEPHX1
SCHEMBL9270457 0.91 KMT2A (0.46) KMT2AL3MBTL1ATMPOLBEPHX1
SCHEMBL9261887 0.90 KMT2A (0.45) KMT2AL3MBTL1ATMPOLBEPHX1
SCHEMBL9261891 0.90 KMT2A (0.45) KMT2AL3MBTL1ATMPOLBEPHX1
SCHEMBL9263781 0.89 KMT2A (0.43) KMT2AL3MBTL1ATMPOLBEPHX1
SCHEMBL9263786 0.89 KMT2A (0.43) KMT2AL3MBTL1ATMPOLBEPHX1
SCHEMBL9262397 0.89 KMT2A (0.44) KMT2AL3MBTL1ATMPOLBEPHX1
SCHEMBL9258566 0.89 KMT2A (0.44) KMT2AL3MBTL1ATMPOLBEPHX1
SCHEMBL9262394 0.89 KMT2A (0.44) KMT2AL3MBTL1ATMPOLBEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5476944-A Inhibitors or stimulators of superoxide generation; may also inhibit cyclooxygenase and/or 5-lipoxygenase; useful in therapeutic or prophylactic treatment of disease conditions G. D. SEARLE & CO. (US) 1995-12-19 US disclosed
EP-0613463-A1 DERIVATIVES OF CYCLIC PHENOLIC THIOETHERS AS INHIBITORS OR STIMULATORS OF SUPEROXIDE GENERATION G.D. SEARLE & CO. (US) 1994-09-07 EP disclosed
WO-1993010087-A1 DERIVATIVES OF CYCLIC PHENOLIC THIOETHERS AS INHIBITORS OR STIMULATORS OF SUPEROXIDE GENERATION G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed