SCHEMBL31490963

SCHEMBL31490963

N#CSc1c[nH]c2ccc(I)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.49
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48
TUBA4A P68366 2/20 0.48
TUBB4B P68371 2/20 0.48
TUBB3 Q13509 2/20 0.48
TUBB2A Q13885 2/20 0.48
TUBB8 Q3ZCM7 2/20 0.48
TUBA3E Q6PEY2 2/20 0.48
TUBA1A Q71U36 2/20 0.48
TUBA1C Q9BQE3 2/20 0.48
TUBB6 Q9BUF5 2/20 0.48
TUBB2B Q9BVA1 2/20 0.48
TUBB1 Q9H4B7 2/20 0.48
SLC6A4 P31645 3/20 0.39
HTR1A P08908 2/20 0.38
HTR7 P34969 2/20 0.38
HTR6 P50406 2/20 0.38

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
SCHEMBL29307612 0.80 IDO1 (0.54) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16789820 0.75 TUBB4A (0.55) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25045531 0.74 SLC6A4 (0.47) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29907238 0.74 TUBB4A (0.53) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29307613 0.72 GPR84 (0.46) IDO1SLC6A4MPOCSNK2A1
SCHEMBL3882080 0.69 IMPDH2 (0.46) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12524714 0.67 ATM (0.52) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1932443 0.67 SLC6A4 (0.45) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13852800 0.67 IDO1 (0.43) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5730582 0.67 MAPT (0.50) 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
CN-119823020-A Preparation method of 3-thiocyanatoindole derivative 常州工程职业技术学院 2025-04-15 CN disclosed