SCHEMBL31490964

SCHEMBL31490964

Cc1ccc2[nH]cc(SC#N)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49
TUBA4A P68366 2/20 0.49
TUBB4B P68371 2/20 0.49
TUBB3 Q13509 2/20 0.49
TUBB2A Q13885 2/20 0.49
TUBB8 Q3ZCM7 2/20 0.49
TUBA3E Q6PEY2 2/20 0.49
TUBA1A Q71U36 2/20 0.49
TUBA1C Q9BQE3 2/20 0.49
TUBB6 Q9BUF5 2/20 0.49
TUBB2B Q9BVA1 2/20 0.49
TUBB1 Q9H4B7 2/20 0.49
HTR1D P28221 2/20 0.44
HTR2A P28223 2/20 0.44
IDO1 P14902 4/20 0.43
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 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
SCHEMBL31229047 0.87 HTR2A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29307612 0.80 IDO1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31490963 0.80 IDO1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31490943 0.80 CSNK2A1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31490967 0.80 SLC6A4 (0.49) HTR2AIDO1SLC6A4HTR1AHTR1B
SCHEMBL31490955 0.80 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5731230 0.79 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31490958 0.76 IDO1 (0.41) IDO1KDM4EHSD17B10HTR1ADRD2
SCHEMBL16789820 0.75 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31490954 0.75 HTR7 (0.49) HTR1DKDM4EHSD17B10LMNAHTR1A

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
CN-119823020-A Preparation method of 3-thiocyanatoindole derivative 常州工程职业技术学院 2025-04-15 CN disclosed