SCHEMBL23625529

SCHEMBL23625529

Cc1ccc2c3c(C#N)cccc3n(-c3ccc(C#N)cc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP14 P54578 12/20 0.44
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP2A6 P11509 1/20 0.38
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
GLA P06280 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL22153370 0.84 KDM4E (0.42) USP14ALDH1A1KDM4EMAPT
SCHEMBL23625549 0.82 USP14 (0.48) USP14CYP19A1ALDH1A1CYP2A6KDM4E
SCHEMBL23625548 0.81 USP14 (0.51) USP14CYP19A1ALDH1A1CYP2A6TRPV1
SCHEMBL18028319 0.78 MAOA (0.42) TP53
SCHEMBL23625506 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL22148669 0.74 ALDH1A1 (0.50) USP14CYP19A1ALDH1A1CYP2A6MAPT
SCHEMBL12721573 0.74 ALDH1A1 (0.50) USP14CYP19A1ALDH1A1CYP2A6KDM4E
SCHEMBL23625504 0.74 L3MBTL1 (0.44) USP14ALDH1A1CYP2A6KDM4EGAA
SCHEMBL17565589 0.74 USP14 (0.45) USP14CYP19A1ALDH1A1CYP2A6KDM4E
SCHEMBL17051472 0.74 KDM4E (0.43) USP14CYP19A1ALDH1A1CYP2A6KDM4E

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