SCHEMBL1399367

SCHEMBL1399367

CNCc1ccccc1Sc1c[nH]c2cccc(Br)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IFNAR1 P17181 1/20 0.51
LMNA P02545 2/20 0.43
RECQL P46063 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
G6PD P11413 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CCR6 P51684 1/20 0.39
MCL1 Q07820 1/20 0.39
HKDC1 Q2TB90 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
SCHEMBL1399293 0.86 IFNAR1 (0.54) IFNAR1LMNARECQLSMN1; SMN2SLC6A2
SCHEMBL1399466 0.84 IFNAR1 (0.51) IFNAR1LMNARECQLSMN1; SMN2SLC6A2
SCHEMBL1399315 0.84 IFNAR1 (0.51) IFNAR1LMNARECQLSMN1; SMN2SLC6A2
SCHEMBL1399212 0.84 IFNAR1 (0.51) IFNAR1LMNARECQLSMN1; SMN2SLC6A2
SCHEMBL1399262 0.84 IDO1 (0.39) IFNAR1SLC6A4CYP2A6GPR84
SCHEMBL1399273 0.82 KMT2A (0.49) IFNAR1MEN1POLBKMT2A
SCHEMBL1399370 0.82 HTR2A (0.47) LMNASLC6A2CYP2A6
SCHEMBL1399362 0.81 IFNAR1 (0.60) IFNAR1LMNARECQLSMN1; SMN2SLC6A2
SCHEMBL31415122 0.78 GPR84 (0.50) SLC6A4MEN1KMT2AKDM4EALDH1A1
SCHEMBL1399373 0.78 GPR84 (0.49) IFNAR1LMNARECQLSMN1; SMN2SLC6A2

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-1860100-B1 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI LUNDBECK & CO AS H (DK) 2011-03-02 EP claimed