SCHEMBL29957285

SCHEMBL29957285

O=Cc1c(C2CCCC2)[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
TUBB4A P04350 4/20 0.44
TUBB P07437 4/20 0.44
TUBA3C P0DPH7 4/20 0.44
TUBA1B P68363 4/20 0.44
TUBA4A P68366 4/20 0.44
TUBB4B P68371 4/20 0.44
TUBB3 Q13509 4/20 0.44
TUBB2A Q13885 4/20 0.44
TUBB8 Q3ZCM7 4/20 0.44
TUBA3E Q6PEY2 4/20 0.44
TUBA1A Q71U36 4/20 0.44
TUBA1C Q9BQE3 4/20 0.44
TUBB6 Q9BUF5 4/20 0.44
TUBB2B Q9BVA1 4/20 0.44
TUBB1 Q9H4B7 4/20 0.44
RB1 P06400 4/20 0.43
BRD3 Q15059 1/20 0.42
AHR P35869 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL9300118 1.00 CNR1 (0.45) CNR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7254612 0.93 AHR (0.43) CNR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7620299 0.81 AHR (0.37) RB1BRD3AHRMEN1MAPT
SCHEMBL29957489 0.78 SIRT1 (0.46) MEN1MAPTKMT2ASIRT1SIRT2
SCHEMBL29951772 0.76 DYRK1A (0.40) CNR1
SCHEMBL29951956 0.76 TRIM24 (0.41) AHRMEN1MAPTKMT2A
SCHEMBL29956616 0.76 MEN1 (0.41) AHRMEN1KMT2A
SCHEMBL1428728 0.76 MTNR1A (0.54) AHRMEN1MAPTKMT2ASIRT1
SCHEMBL29953069 0.76 KIF11 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15331776 0.75 KDM4E (0.42) CNR1TUBB4ATUBBTUBA3CTUBA1B

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed