SCHEMBL1399378

SCHEMBL1399378

CNCc1ccccc1Sc1c[nH]c2ccc(O)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
RECQL P46063 2/20 0.53
HPGD P15428 2/20 0.53
MAPT P10636 1/20 0.53
G6PD P11413 1/20 0.53
PKM P14618 1/20 0.53
MAPK1 P28482 1/20 0.53
CCR6 P51684 1/20 0.53
MCL1 Q07820 1/20 0.53
HKDC1 Q2TB90 1/20 0.53
HTR2C P28335 2/20 0.50
MEN1 O00255 1/20 0.50
CYP2D6 P10635 1/20 0.50
KMT2A Q03164 1/20 0.50
IFNAR1 P17181 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 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
SCHEMBL1399248 0.86 IFNAR1 (0.50) RECQLIFNAR1SMN1; SMN2TUBB4ATUBB
SCHEMBL1399483 0.85 IDO1 (0.64) IFNAR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1399348 0.85 IDO1 (0.60) RECQLIFNAR1SMN1; SMN2TUBB4ATUBB
SCHEMBL1399539 0.85 IDO1 (0.60) KDM4EALDH1A1RECQLHPGDMAPT
SCHEMBL1399382 0.85 IDO1 (0.62) IFNAR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1399362 0.84 IFNAR1 (0.60) KDM4EALDH1A1RECQLMAPTMEN1
SCHEMBL1399503 0.83 MEN1 (0.56) KDM4EMAPTHTR2CMEN1CYP2D6
SCHEMBL1399413 0.82 IFNAR1 (0.46) KDM4EALDH1A1RECQLHPGDMAPT
SCHEMBL1399343 0.81 HTR2C (0.62) KDM4EALDH1A1RECQLHPGDMAPT
SCHEMBL3185285 0.81 IFNAR1 (0.50) KDM4EALDH1A1RECQLHPGDMAPT

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