SCHEMBL9735595

SCHEMBL9735595

O=S(=O)(c1c[nH]cn1)N1CCc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.51
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
AKR1C3 P42330 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
LMNA P02545 2/20 0.47
CYP3A4 P08684 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
AKR1C1 Q04828 1/20 0.45

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
SCHEMBL1626517 0.81 DRD2 (0.44) KMT2ATSHRMAPK1CYP2D6LMNA
SCHEMBL1625990 0.77 HTT (0.43) TSHRCYP2C19CYP1A2CYP2D6LMNA
SCHEMBL28369144 0.75 KMT2A (0.56) KMT2AMEN1L3MBTL1TSHRMAPK1
SCHEMBL693455 0.72 KMT2A (1.00) KMT2AMEN1L3MBTL1TSHRMAPK1
SCHEMBL29843194 0.70 KMT2A (0.66) KMT2AMEN1L3MBTL1TSHRMAPK1
SCHEMBL1033548 0.70 KMT2A (0.66) KMT2AMEN1L3MBTL1TSHRMAPK1
SCHEMBL3007964 0.70 KMT2A (0.66) KMT2AMEN1L3MBTL1TSHRMAPK1
SCHEMBL1626519 0.70 ALDH1A1 (0.34) KMT2AMEN1TSHRMAPK1LMNA
SCHEMBL9735045 0.69 KMT2A (0.49) KMT2AMEN1L3MBTL1TSHRMAPK1
SCHEMBL2815639 0.69 KMT2A (0.64) KMT2AMEN1L3MBTL1TSHRMAPK1

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-5173503-A Derivatives of N,N-dimethyl-4-phenylalkylenesulfonyl-imidazole -1-sulphonamides; phytopathogenic fungi SCHERING AGROCHEMICALS LIMITED (GB) 1992-12-22 US disclosed
EP-0432892-A1 Imidazole fungicides AgrEvo UK Limited (GB) 1991-06-19 EP disclosed