SCHEMBL9258643

SCHEMBL9258643

CC(C)(C(=O)NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)CC(CC(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
SIGMAR1 Q99720 4/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
MAOB P27338 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.47
DRD4 P21917 2/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
DPP7 Q9UHL4 1/20 0.46
CCR4 P51679 1/20 0.46
MAOA P21397 1/20 0.46

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
SCHEMBL9257263 0.89 KMT2A (0.46) KMT2AMEN1SIGMAR1CHRM2CHRM1
SCHEMBL9257535 0.88 MAPT (0.46) KMT2A
SCHEMBL9258638 0.82 KMT2A (0.52) KMT2AMEN1SIGMAR1CHRM2CHRM1
SCHEMBL9257253 0.79 KMT2A (0.48) KMT2AMEN1SIGMAR1CHRM2CHRM1
SCHEMBL13003260 0.76 SIGMAR1 (0.68) KMT2AMEN1SIGMAR1CHRM2CHRM1
SCHEMBL5402061 0.72 SIGMAR1 (0.68) KMT2ASIGMAR1CHRM2CHRM1CHRM3
SCHEMBL9256395 0.71 MAPT (0.47) L3MBTL1POLB
SCHEMBL7268908 0.70 SIGMAR1 (0.79) SIGMAR1L3MBTL1POLB
SCHEMBL9261597 0.70 GABBR2 (0.51) KMT2AMEN1L3MBTL1POLBDRD3
SCHEMBL3164487 0.70 SIGMAR1 (0.74) KMT2AMEN1SIGMAR1POLBDRD4

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-5393875-A Hypotensive, cardiotonic and antiischemic agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed