SCHEMBL1399503

SCHEMBL1399503

CNCc1ccccc1Sc1c[nH]c2ccc(OC)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
GPR84 Q9NQS5 2/20 0.53
HTR2A P28223 3/20 0.52
TUBB4A P04350 2/20 0.52
TUBB P07437 2/20 0.52
TUBA3C P0DPH7 2/20 0.52
TUBA1B P68363 2/20 0.52
TUBA4A P68366 2/20 0.52
TUBB4B P68371 2/20 0.52
TUBB3 Q13509 2/20 0.52
TUBB2A Q13885 2/20 0.52
TUBB8 Q3ZCM7 2/20 0.52
TUBA3E Q6PEY2 2/20 0.52
TUBA1A Q71U36 2/20 0.52
TUBA1C Q9BQE3 2/20 0.52
TUBB6 Q9BUF5 2/20 0.52
TUBB2B Q9BVA1 2/20 0.52
TUBB1 Q9H4B7 2/20 0.52

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
SCHEMBL4632657 0.91 MEN1 (0.56) MEN1POLBKMT2AGPR84HTR2A
SCHEMBL1399264 0.85 IDO1 (0.56) MEN1KMT2AGPR84HTR2ATUBB4A
SCHEMBL1399239 0.85 IDO1 (0.59) GPR84HTR2ATUBB4ATUBBTUBA3C
SCHEMBL1399215 0.85 IDO1 (0.59) GPR84HTR2ATUBB4ATUBBTUBA3C
SCHEMBL4632114 0.84 IDO1 (0.51) MEN1POLBKMT2ATUBB4ATUBB
SCHEMBL1399248 0.84 IFNAR1 (0.50) HTR2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1399200 0.83 HTR1A (0.64) MEN1KMT2AGPR84HTR2ATUBB4A
SCHEMBL1399176 0.83 SLC6A4 (0.61) GPR84HTR2ATUBB4ATUBBTUBA3C
SCHEMBL1399348 0.83 IDO1 (0.60) GPR84TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1399539 0.83 IDO1 (0.60) MEN1POLBKMT2ATUBB4ATUBB

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