SCHEMBL6278342

SCHEMBL6278342

Cc1csc(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GCK P35557 5/20 0.53
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
SCN9A Q15858 2/20 0.50
ALOX12 P18054 1/20 0.49
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL27228854 0.82 MEN1 (0.60) NPSR1MEN1KMT2AFFAR4SCN9A
SCHEMBL564521 0.79 ALDH1A1 (0.60) NPSR1MEN1KMT2AKDM1AMAOA
SCHEMBL3847455 0.78 KMT2A (0.52) NPSR1MEN1KMT2ASCN9AALOX12
SCHEMBL5911665 0.78 KDM1A (0.68) MEN1KMT2AKDM1AMAOAALDH1A1
SCHEMBL5911698 0.78 KMT2A (0.62) NPSR1MEN1KMT2ASCN9AALOX12
SCHEMBL30209696 0.76 MEN1 (0.67) NPSR1MEN1KMT2ASCN9AKDM1A
SCHEMBL6253625 0.72 ALDH1A1 (0.63) KMT2AFFAR1FFAR4SCN9AALDH1A1
SCHEMBL31596007 0.72 FFAR1 (0.76) MEN1KMT2AFFAR1FFAR4ALDH1A1
SCHEMBL29471301 0.72 ALDH1A1 (0.75) NPSR1MEN1KMT2AALDH1A1LMNA
SCHEMBL27650147 0.72 KMT2A (1.00) MEN1KMT2AALDH1A1LMNAHSD17B10

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
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed