SCHEMBL1399400

SCHEMBL1399400

CCc1cccc2c(Sc3ccccc3CNC)c[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IFNAR1 P17181 1/20 0.58
LMNA P02545 2/20 0.51
RECQL P46063 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
SLC6A3 Q01959 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
G6PD P11413 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL1399380 0.87 IFNAR1 (0.58) IFNAR1LMNARECQLSMN1; SMN2SLC6A2
SCHEMBL1399237 0.87 IFNAR1 (0.43) IFNAR1LMNARECQLSMN1; SMN2SLC6A2
SCHEMBL1399267 0.86 IFNAR1 (0.57) IFNAR1LMNARECQLSMN1; SMN2SLC6A2
SCHEMBL1399187 0.86 IFNAR1 (0.42) IFNAR1LMNARECQLSMN1; SMN2SLC6A2
SCHEMBL1399271 0.84 IFNAR1 (0.54) IFNAR1LMNARECQLSMN1; SMN2SLC6A2
SCHEMBL1399320 0.82 MEN1 (0.46) LMNASMN1; SMN2SLC6A4MEN1KMT2A
SCHEMBL1399362 0.81 IFNAR1 (0.60) IFNAR1LMNARECQLSMN1; SMN2SLC6A2
SCHEMBL14513499 0.80 IFNAR1 (0.65) IFNAR1LMNARECQLSMN1; SMN2SLC6A2
SCHEMBL3419928 0.76 HTR1A (0.53) SLC6A4
SCHEMBL30996076 0.74 IFNAR1 (1.00) 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