SCHEMBL7685977

SCHEMBL7685977

CCC1(CC)NS(=O)(=O)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
CA12 O43570 7/20 0.35
CA9 Q16790 7/20 0.35
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA4 P22748 4/20 0.35
CA7 P43166 4/20 0.35
PDE7A Q13946 1/20 0.35
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
BCHE P06276 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
PSEN1 P49768 1/20 0.31

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
SCHEMBL448460 0.75 KMT2A (0.39) KMT2AMEN1NOX1CA12CA9
Ammonia Solution, Strong SCHEMBL446104 0.73 KMT2A (0.38) KMT2AMEN1NOX1CA12CA9
SCHEMBL31536393 0.72 PKM (0.35) KMT2AMEN1GAAKDM4EPKM
SCHEMBL5523699 0.71 KMT2A (0.39) KMT2AMEN1NOX1CA12CA9
SCHEMBL17169742 0.71 KMT2A (0.39) KMT2AMEN1NOX1CA12CA9
SCHEMBL26048255 0.71 KMT2A (0.39) KMT2AMEN1NOX1CA12CA9
SCHEMBL11240630 0.68 CYP2C9 (0.37) KMT2AMEN1NOX1CA12CA9
SCHEMBL2202766 0.66 PDE7A (0.39) KMT2AMEN1PDE7A
SCHEMBL28234767 0.66 KMT2A (0.34) KMT2AMEN1NOX1CA12CA9
SCHEMBL28241763 0.66 KMT2A (0.34) KMT2AMEN1NOX1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6346622-B1 ENANTIOMORPHS AND ISOMERS ABBOTT LABORATORIES 2002-02-12 US disclosed
US-6300354-B1 FOR THERAPY OF NEUROLEPTIC DISEASES BASF AKTIENGESELLSCHAFT (DE) 2001-10-09 US disclosed