SCHEMBL7904031

SCHEMBL7904031

CC(C)OCC(=O)c1cccc(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.46
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
NPC1 O15118 2/20 0.44
POLB P06746 2/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ELANE P08246 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
CPN1 P15169 1/20 0.40
CPB2 Q96IY4 1/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
CHRNB2 P17787 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
SCHEMBL18500640 0.81 PBRM1 (0.50) PBRM1ADRB2ADRB1ADRB3NPC1
SCHEMBL9461011 0.79 NPC1 (0.50) NPC1POLBLMNAALDH1A1KDM4E
SCHEMBL7914192 0.79 CA2 (0.51)
SCHEMBL13464256 0.79 ALDH1A1 (0.47) PBRM1ADRB2ADRB1ADRB3NPC1
SCHEMBL28194722 0.78 PBRM1 (0.50) PBRM1ADRB2ADRB1ADRB3NPC1
SCHEMBL6943712 0.77 PRSS1 (0.46) LMNAPRSS1PRSS2PRSS3
SCHEMBL7912220 0.76 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2RAB9A
SCHEMBL2208370 0.75 PBRM1 (0.55) PBRM1ADRB2ADRB1ADRB3NPC1
SCHEMBL28359889 0.75 PBRM1 (0.59) PBRM1ADRB2ADRB1ADRB3NPC1
SCHEMBL8930000 0.75 ELANE (0.56) PBRM1ADRB2ADRB1ADRB3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214882-B1 Benzenesulphonamide derivatives, preparation thereof and therapeutical uses thereof SYNTHELABO (FR) 2001-04-10 US disclosed
EP-0842148-B1 BENZENESULPHONAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USES THEREOF SANOFI SYNTHELABO (FR) 2000-12-20 EP disclosed
EP-0842148-A1 BENZENESULPHONAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USES THEREOF SYNTHELABO (FR) 1998-05-20 EP disclosed
WO-1997006136-A1 BENZENESULPHONAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USES THEREOF SYNTHELABO (FR) 1997-02-20 WO disclosed