SCHEMBL9727641

SCHEMBL9727641

CC(C)N(c1ccccc1S(=O)(=O)N1CCCC1=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 1/20 0.43
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.38
TP53 P04637 2/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.36
RCE1 Q9Y256 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.34

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
SCHEMBL10594508 0.80 KMT2A (0.44) KMT2AMEN1GAATSHRCYP3A4
SCHEMBL9727673 0.78 KMT2A (0.43) KMT2AMEN1GAATSHRCYP3A4
SCHEMBL9727635 0.74 GAA (0.46) KMT2AMEN1GAATP53
SCHEMBL10879279 0.72 GAA (0.50) KMT2AMEN1GAATSHRCYP3A4
SCHEMBL7380549 0.71 PKM (0.62) KMT2AMEN1GAACYP3A4CYP2C9
SCHEMBL14529339 0.70 GAA (0.51) KMT2AMEN1GAATP53CRHBP
SCHEMBL9727395 0.70 KMT2A (0.42) KMT2AMEN1GAATSHRCYP3A4
SCHEMBL10876708 0.70 CYP2C9 (0.49) KMT2AMEN1GAATSHRCYP3A4
SCHEMBL10877910 0.70 CHRM4 (0.53) KMT2AMEN1TSHRCYP3A4CYP2C9
SCHEMBL10884111 0.70 KMT2A (0.51) KMT2AMEN1GAATSHRCYP3A4

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-5164514-A Antispasmodics ROUSSEL UCLAF (FR) 1992-11-17 US disclosed
US-5081130-A Antispasmodic agents ROUSSEL UCLAF (FR) 1992-01-14 US disclosed
US-4990531-A Antispasmodic agents ROUSSEL UCLAF (FR) 1991-02-05 US disclosed