SCHEMBL23625611

SCHEMBL23625611

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.52
IMPDH2 P12268 1/20 0.47
IMPDH1 P20839 1/20 0.47
AR P10275 1/20 0.44
SLC22A12 Q96S37 11/20 0.42
NSD2 O96028 3/20 0.41
TSHR P16473 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A11 Q9NSA0 1/20 0.39
XDH P47989 1/20 0.38

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
SCHEMBL23625612 0.88 IMPDH2 (0.46) GRM2IMPDH2IMPDH1ARSLC22A12
SCHEMBL15856497 0.85 GRM2 (0.52) GRM2TSHRXDH
SCHEMBL3478696 0.84 GRM2 (0.48) GRM2ARTSHR
SCHEMBL7624975 0.83 GRM2 (0.49) GRM2ARTSHR
SCHEMBL16917824 0.82 IMPDH2 (0.57) IMPDH2IMPDH1ARSLC22A12SLC22A6
SCHEMBL6152302 0.80 IMPDH2 (0.49) IMPDH2IMPDH1ARSLC22A12NSD2
SCHEMBL29293789 0.80 TSHR (0.50) GRM2ARTSHR
SCHEMBL23624462 0.79 IMPDH2 (0.47) IMPDH2IMPDH1ARSLC22A12NSD2
SCHEMBL24617557 0.78 SLC22A12 (0.48) IMPDH2IMPDH1ARSLC22A12SLC22A6
SCHEMBL24617496 0.78 IMPDH2 (0.47) IMPDH2IMPDH1ARSLC22A12

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