SCHEMBL23625612

SCHEMBL23625612

Cc1ccc(-c2ccc(C#N)c3ccccc23)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
NSD2 O96028 5/20 0.43
AR P10275 1/20 0.42
TSHR P16473 1/20 0.42
GRM2 Q14416 1/20 0.42
HSP90AB1 P08238 2/20 0.42
SLC22A12 Q96S37 8/20 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
SCHEMBL23625611 0.88 GRM2 (0.52) IMPDH2IMPDH1NSD2ARTSHR
SCHEMBL28369909 0.83 IMPDH2 (0.44) IMPDH2IMPDH1NSD2ARTSHR
SCHEMBL24617558 0.82 SLC22A12 (0.47) IMPDH2IMPDH1NSD2ARTSHR
SCHEMBL16917824 0.81 IMPDH2 (0.57) IMPDH2IMPDH1ARSLC22A12
SCHEMBL6152302 0.79 IMPDH2 (0.49) IMPDH2IMPDH1NSD2ARTSHR
SCHEMBL23624462 0.77 IMPDH2 (0.47) IMPDH2IMPDH1NSD2ARTSHR
SCHEMBL28369547 0.76 TSHR (0.39) IMPDH2IMPDH1NSD2TSHRSLC22A12
SCHEMBL23624587 0.76 AR (0.48) IMPDH2IMPDH1NSD2ARTSHR
SCHEMBL854444 0.75 CYP1A2 (0.59) IMPDH2IMPDH1NSD2ARTSHR
SCHEMBL29293789 0.75 TSHR (0.50) ARTSHRGRM2HSP90AB1

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
WO-2021135516-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed