SCHEMBL28232147

SCHEMBL28232147

CCc1c(C#N)[c]ccc1C#N

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.33
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HSD17B10 Q99714 2/20 0.30
LMNA P02545 1/20 0.30
KDM5A P29375 1/20 0.30
TSHR P16473 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL15063769 0.82 CYP2A6 (0.32) CYP2A6
SCHEMBL455403 0.80 CYP2A6 (0.33) CYP2A6KDM4EALDH1A1HSD17B10LMNA
SCHEMBL7801512 0.75
SCHEMBL743566 0.72 PGR (0.30)
SCHEMBL18438940 0.72 KDM5A (0.35) KDM5ATSHR
SCHEMBL16771350 0.72 TSHR (0.46) CYP2A6KDM4EALDH1A1HSD17B10KDM5A
SCHEMBL7804390 0.70 KDM4E (0.37) KDM4EALDH1A1HSD17B10KDM5ATSHR
SCHEMBL28063320 0.68 CYP11B1 (0.30)
SCHEMBL458165 0.68 GABRA1 (0.35) CYP2A6
SCHEMBL10878832 0.67 AR (0.45) CYP2A6

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
CN-108239508-A Photocurable resin composition, sealant, electronic component and liquid crystal display 日本化药株式会社 2018-07-03 CN disclosed