SCHEMBL1399368

SCHEMBL1399368

CNCc1cc(Cl)ccc1Sc1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.51
TUBB4A P04350 4/20 0.48
TUBB P07437 4/20 0.48
TUBA3C P0DPH7 4/20 0.48
TUBA1B P68363 4/20 0.48
TUBA4A P68366 4/20 0.48
TUBB4B P68371 4/20 0.48
TUBB3 Q13509 4/20 0.48
TUBB2A Q13885 4/20 0.48
TUBB8 Q3ZCM7 4/20 0.48
TUBA3E Q6PEY2 4/20 0.48
TUBA1A Q71U36 4/20 0.48
TUBA1C Q9BQE3 4/20 0.48
TUBB6 Q9BUF5 4/20 0.48
TUBB2B Q9BVA1 4/20 0.48
TUBB1 Q9H4B7 4/20 0.48
GFER P55789 1/20 0.45
RHEB Q15382 1/20 0.43
IFNAR1 P17181 1/20 0.43
MAPT P10636 2/20 0.42

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
SCHEMBL1399195 0.90 IDO1 (0.51) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4391401 0.88 HTR2A (0.56) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1399402 0.86 GFER (0.46) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1399260 0.85 IDO1 (0.53) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4632786 0.85 IDO1 (0.51) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1399483 0.85 IDO1 (0.64) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3182311 0.84 GPR84 (0.45) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1399282 0.84 IDO1 (0.49) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1399362 0.84 IFNAR1 (0.60) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1399485 0.83 IDO1 (0.56) IDO1TUBB4ATUBBTUBA3CTUBA1B

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