SCHEMBL28385877

SCHEMBL28385877

COc1ccc2[nH]cc(Sc3ccc(C)cc3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.69
TUBB4A P04350 12/20 0.67
TUBB P07437 12/20 0.67
TUBA3C P0DPH7 12/20 0.67
TUBA1B P68363 12/20 0.67
TUBA4A P68366 12/20 0.67
TUBB4B P68371 12/20 0.67
TUBB3 Q13509 12/20 0.67
TUBB2A Q13885 12/20 0.67
TUBB8 Q3ZCM7 12/20 0.67
TUBA3E Q6PEY2 12/20 0.67
TUBA1A Q71U36 12/20 0.67
TUBA1C Q9BQE3 12/20 0.67
TUBB6 Q9BUF5 12/20 0.67
TUBB2B Q9BVA1 12/20 0.67
TUBB1 Q9H4B7 12/20 0.67
MAPT P10636 1/20 0.53
GPR84 Q9NQS5 1/20 0.50
HTR2A P28223 1/20 0.48

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
SCHEMBL31397695 0.93 IDO1 (0.79) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31397685 0.91 IDO1 (0.73) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6109298 0.89 IDO1 (0.58) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22802327 0.87 IDO1 (0.67) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31397684 0.83 IDO1 (0.61) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28516603 0.83 IDO1 (0.81) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28061061 0.82 IDO1 (0.75) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31397679 0.82 IDO1 (0.71) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22802299 0.82 IDO1 (0.71) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31397677 0.82 IDO1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111100056-B Synthetic method for preparing 3-thiophenyl indole compound by oxygen oxidation without transition metal catalysis 浙江工业大学 2021-07-06 CN disclosed
CN-111100056-A Synthetic method for preparing 3-thiophenyl indole compound by oxygen oxidation without transition metal catalysis 浙江工业大学 2020-05-05 CN disclosed