SCHEMBL7954191

SCHEMBL7954191

Cc1ccccc1S(=O)(=O)OCC1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
STS P08842 1/20 0.45
GPR119 Q8TDV5 7/20 0.45
KAT7 O95251 1/20 0.43
KAT8 Q9H7Z6 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
NAMPT P43490 1/20 0.43
LIMK2 P53671 1/20 0.42
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL1879006 0.93 TGFBR1 (0.52) TGFBR1KDM4EPKMSTSGPR119
SCHEMBL3949547 0.87 STS (0.44) TGFBR1KDM4EPKMSTSGPR119
SCHEMBL3949538 0.87 STS (0.44) TGFBR1KDM4EPKMSTSGPR119
SCHEMBL3949543 0.87 STS (0.44) TGFBR1KDM4EPKMSTSGPR119
SCHEMBL7000708 0.86 RBP4 (0.43)
SCHEMBL27146439 0.86 GPR119 (0.53) TGFBR1KDM4EPKMSTSGPR119
SCHEMBL1502200 0.84 GPR119 (0.51) STSGPR119
SCHEMBL13832841 0.84 GPR119 (0.51) STSGPR119
SCHEMBL13832628 0.84 GPR119 (0.51) STSGPR119
SCHEMBL27141625 0.84 GPR119 (0.59) TGFBR1KDM4EPKMSTSGPR119

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-6239129-B1 CHARACTERISED BY AN INDOLE RING ON THE AROMATIC MOIETY BY A CYANO GROUP AND ON THE INDOLE NITROGEN BY AN AMINOALKYL CHAIN. GREAT AFFINITY FOR 5-HT2C RECEPTORS, USEFUL FOR DEPRESSION, PANIC ATTACKS, OBSESSIVE-COMPULSIVE DISORDERS, PHOBIAS, ADIR ET COMPAGNIE (FR) 2001-05-29 US disclosed