SCHEMBL9600856

SCHEMBL9600856

Cc1cccc(C)c1NC(=O)CSC1CCCCC1Sc1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.40
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL9264228 1.00 KMT2A (0.43) KMT2AATML3MBTL1POLBEPHX1
SCHEMBL9262394 0.89 KMT2A (0.44) KMT2AATML3MBTL1POLBEPHX1
SCHEMBL9262397 0.89 KMT2A (0.44) KMT2AATML3MBTL1POLBEPHX1
SCHEMBL9259011 0.88 KMT2A (0.42) KMT2AATML3MBTL1POLBEPHX1
SCHEMBL9258999 0.88 KMT2A (0.42) KMT2AATML3MBTL1POLBEPHX1
SCHEMBL9263786 0.87 KMT2A (0.43) KMT2AATML3MBTL1POLBEPHX1
SCHEMBL9263781 0.87 KMT2A (0.43) KMT2AATML3MBTL1POLBEPHX1
SCHEMBL9265611 0.87 KMT2A (0.44) KMT2AATML3MBTL1POLBEPHX1
SCHEMBL9265614 0.87 KMT2A (0.44) KMT2AATML3MBTL1POLBEPHX1
SCHEMBL9381098 0.86 KMT2A (0.42) KMT2AATML3MBTL1POLBEPHX1

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
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