SCHEMBL9258561

SCHEMBL9258561

Cc1cccc(C)c1NC(=O)CSC1CCCCC1Sc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2C9 P11712 6/20 0.41
MEN1 O00255 4/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
LMNA P02545 2/20 0.41
CYP2D6 P10635 2/20 0.41
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41
USP2 O75604 1/20 0.41
PGR P06401 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL9258566 1.00 KMT2A (0.44) KMT2AATML3MBTL1CYP2C9MEN1
SCHEMBL9270452 0.91 KMT2A (0.46) KMT2AATML3MBTL1CYP2C9MEN1
SCHEMBL9270457 0.91 KMT2A (0.46) KMT2AATML3MBTL1CYP2C9MEN1
SCHEMBL9261891 0.90 KMT2A (0.45) KMT2AATML3MBTL1CYP2C9MEN1
SCHEMBL9261887 0.90 KMT2A (0.45) KMT2AATML3MBTL1CYP2C9MEN1
SCHEMBL9262397 0.89 KMT2A (0.44) KMT2AATML3MBTL1CYP2C9MEN1
SCHEMBL9262394 0.89 KMT2A (0.44) KMT2AATML3MBTL1CYP2C9MEN1
SCHEMBL9258314 0.89 KMT2A (0.44) KMT2AATML3MBTL1CYP2C9MEN1
SCHEMBL9258317 0.89 KMT2A (0.44) KMT2AATML3MBTL1CYP2C9MEN1
SCHEMBL9382181 0.87 ALDH1A1 (0.50) KMT2AATML3MBTL1MEN1POLB

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