SCHEMBL4632176

SCHEMBL4632176

CNCc1ccccc1Sc1c[nH]c2cc(Br)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
IFNAR1 P17181 1/20 0.49
IDO1 P14902 1/20 0.48
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
RECQL P46063 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL1399348 0.90 IDO1 (0.60) CHRNB2CHRNA7CHRNA4IFNAR1IDO1
SCHEMBL3192924 0.86 IFNAR1 (0.50) IFNAR1IDO1SLC6A2SLC6A4RECQL
SCHEMBL3196131 0.85 CHRNB2 (0.48) CHRNB2CHRNA7CHRNA4IFNAR1IDO1
SCHEMBL736864 0.85 IDO1 (0.49) IFNAR1IDO1SLC6A2SLC6A4RECQL
SCHEMBL4632786 0.85 IDO1 (0.51) IFNAR1IDO1SLC6A2SLC6A4RECQL
SCHEMBL3189739 0.84 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4IDO1GPR84
SCHEMBL1399362 0.84 IFNAR1 (0.60) IFNAR1IDO1SLC6A2SLC6A4RECQL
SCHEMBL4632657 0.83 MEN1 (0.56) IFNAR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL4632770 0.83 IFNAR1 (0.47) IFNAR1SLC6A2SLC6A4RECQLLMNA
SCHEMBL3186476 0.82 SLC6A2 (0.58) IFNAR1SLC6A2SLC6A4RECQLLMNA

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
EP-1701940-B1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI LUNDBECK & CO AS H (DK) 2008-05-28 EP claimed