SCHEMBL27870754

SCHEMBL27870754

CCCCCC=Cc1cccc2[nH]ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38
AHR P35869 1/20 0.38
CYP2D6 P10635 2/20 0.37
HTR1A P08908 2/20 0.36

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
SCHEMBL27854157 0.81 KMT2A (0.50) CYP2D6MEN1MAPTKMT2AKDM4E
SCHEMBL27803071 0.77 BACE1 (0.51) CYSLTR2CYSLTR1AHR
SCHEMBL31083622 0.76 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3570628 0.76 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3570625 0.76 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3697104 0.76 KMT2A (0.51) CYP2D6MEN1MAPTKMT2AKDM4E
SCHEMBL3697106 0.76 KMT2A (0.51) CYP2D6MEN1MAPTKMT2AKDM4E
SCHEMBL1469800 0.75 CHAT (0.55) CYSLTR2CYSLTR1CHAT
SCHEMBL1469797 0.75 CHAT (0.55) CYSLTR2CYSLTR1CHAT
SCHEMBL6439610 0.75 CHAT (0.55) CYSLTR2CYSLTR1CHAT

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-101723873-B 2-aryl vinyl indole compounds UNIV SHAANXI NORMAL 2012-04-25 CN claimed