SCHEMBL4634046

SCHEMBL4634046

COc1cc2[nH]cc(Sc3ccccc3CC(N)CCc3ccccc3Sc3c[nH]c4cc(Cl)ccc34)c2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.51
TUBB4A P04350 3/20 0.51
TUBB P07437 3/20 0.51
TUBA3C P0DPH7 3/20 0.51
TUBA1B P68363 3/20 0.51
TUBA4A P68366 3/20 0.51
TUBB4B P68371 3/20 0.51
TUBB3 Q13509 3/20 0.51
TUBB2A Q13885 3/20 0.51
TUBB8 Q3ZCM7 3/20 0.51
TUBA3E Q6PEY2 3/20 0.51
TUBA1A Q71U36 3/20 0.51
TUBA1C Q9BQE3 3/20 0.51
TUBB6 Q9BUF5 3/20 0.51
TUBB2B Q9BVA1 3/20 0.51
TUBB1 Q9H4B7 3/20 0.51
KMT2A Q03164 2/20 0.41
HTR2A P28223 2/20 0.39
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35

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
SCHEMBL3196905 0.88 IDO1 (0.52) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3183415 0.84 IDO1 (0.41) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3542875 0.82 IDO1 (0.49) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3198637 0.78 IDO1 (0.51) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3185709 0.77 IDO1 (0.43) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5988151 0.76 IDO1 (0.46) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3183462 0.76 SLC6A4 (0.47) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3190980 0.76 HTR2A (0.51) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3193834 0.76 IDO1 (0.57) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5989667 0.76 IDO1 (0.57) 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-1701940-B1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI LUNDBECK & CO AS H (DK) 2008-05-28 EP disclosed