SCHEMBL23625549

SCHEMBL23625549

Cc1ccc2c3ccccc3n(-c3ccc(C#N)cc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP14 P54578 8/20 0.48
KDM4E B2RXH2 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2A6 P11509 1/20 0.43
PTGER4 P35408 1/20 0.40
RPS6KB1 P23443 1/20 0.38
GSK3B P49841 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
RORC P51449 1/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
RECQL P46063 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL17565589 0.91 USP14 (0.45) USP14KDM4EATML3MBTL1ALDH1A1
SCHEMBL23625504 0.91 L3MBTL1 (0.44) USP14KDM4EATML3MBTL1ALDH1A1
SCHEMBL17051472 0.90 KDM4E (0.43) USP14KDM4EATML3MBTL1ALDH1A1
SCHEMBL23625548 0.89 USP14 (0.51) USP14ALDH1A1CYP19A1CYP2A6
SCHEMBL13957028 0.88 L3MBTL1 (0.47) USP14KDM4EATML3MBTL1
SCHEMBL18347412 0.88 KDM4E (0.50) USP14KDM4EATML3MBTL1PTGER4
SCHEMBL13957098 0.87 KDM4E (0.57) KDM4EATML3MBTL1
SCHEMBL4401736 0.87 KDM4E (0.57) KDM4EATML3MBTL1
SCHEMBL680760 0.86 KDM4E (0.55) KDM4EATML3MBTL1CYP19A1
SCHEMBL3402733 0.86 KDM4E (0.59) USP14KDM4EATML3MBTL1PTGER4

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