SCHEMBL23625548

SCHEMBL23625548

Cc1ccc2c3ccc(C#N)cc3n(-c3ccc(C#N)cc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP14 P54578 11/20 0.51
ALDH1A1 P00352 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP19A1 P11511 1/20 0.45
LMNA P02545 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
TDP2 O95551 2/20 0.38
ITK Q08881 1/20 0.36
GRM2 Q14416 1/20 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
SCHEMBL22148669 0.93 ALDH1A1 (0.50) USP14ALDH1A1CYP2A6CYP19A1LMNA
SCHEMBL23625549 0.89 USP14 (0.48) USP14ALDH1A1CYP2A6CYP19A1
SCHEMBL23625504 0.86 L3MBTL1 (0.44) USP14ALDH1A1CYP2A6LMNATDP2
SCHEMBL17115478 0.84 USP14 (0.43) USP14ALDH1A1CYP2A6CYP19A1ITK
SCHEMBL18907178 0.84 L3MBTL1 (0.42) USP14ALDH1A1CYP2A6LMNATDP2
SCHEMBL12721573 0.83 ALDH1A1 (0.50) USP14ALDH1A1CYP2A6CYP19A1LMNA
SCHEMBL18055719 0.82 L3MBTL1 (0.41) USP14ALDH1A1LMNA
SCHEMBL18055763 0.81 ALDH1A1 (0.47) USP14ALDH1A1CYP2A6CYP19A1TDP2
SCHEMBL18055741 0.81 GPR3 (0.39) USP14ALDH1A1LMNA
SCHEMBL23625529 0.81 USP14 (0.44) USP14ALDH1A1CYP2A6CYP19A1TRPV1

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