SCHEMBL31397684

SCHEMBL31397684

COc1ccc(Sc2c[nH]c3cc(C)ccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.61
TUBB4A P04350 10/20 0.53
TUBB P07437 10/20 0.53
TUBA3C P0DPH7 10/20 0.53
TUBA1B P68363 10/20 0.53
TUBA4A P68366 10/20 0.53
TUBB4B P68371 10/20 0.53
TUBB3 Q13509 10/20 0.53
TUBB2A Q13885 10/20 0.53
TUBB8 Q3ZCM7 10/20 0.53
TUBA3E Q6PEY2 10/20 0.53
TUBA1A Q71U36 10/20 0.53
TUBA1C Q9BQE3 10/20 0.53
TUBB6 Q9BUF5 10/20 0.53
TUBB2B Q9BVA1 10/20 0.53
TUBB1 Q9H4B7 10/20 0.53
HTR1A P08908 2/20 0.48
HTR3A P46098 2/20 0.48
NR4A2 P43354 1/20 0.43

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
SCHEMBL6109298 0.91 IDO1 (0.58) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6108183 0.90 IDO1 (0.66) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31397685 0.89 IDO1 (0.73) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28385877 0.83 IDO1 (0.69) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31397695 0.81 IDO1 (0.79) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22802278 0.81 IDO1 (0.76) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29988929 0.81 IDO1 (0.76) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31397677 0.76 IDO1 (1.00) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22802299 0.76 IDO1 (0.71) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31397679 0.76 IDO1 (0.71) 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-119425756-A Nitrogen-doped carbon-supported bimetallic catalyst as well as preparation method and application thereof 河南科技大学 2025-02-14 CN disclosed