SCHEMBL30679833

SCHEMBL30679833

Cc1cc(C(C)(C)C)cc(C)c1Nc1coc2ccc(C#N)cc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 6/20 0.41
▸ CSNK1G2 P78368 5/20 0.38
▸ KIF11 P52732 1/20 0.35
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ CSNK1A1 P48729 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ IDO1 P14902 2/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ TBXA2R P21731 1/20 0.32
▸ ABCC9 O60706 1/20 0.32
▸ ABCC8 Q09428 1/20 0.32
▸ KCNJ11 Q14654 1/20 0.32
▸ KCNJ8 Q15842 1/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ TDO2 P48775 1/20 0.31
▸ KDM1A O60341 3/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL28703911 1.00 CSNK1D (0.41) CSNK1DCSNK1G2KIF11HTR1DHTR1B
SCHEMBL24779288 0.84 RAPGEF4 (0.37) CSNK1DKIF11HTR1DHTR1BRAPGEF4
SCHEMBL7384696 0.73 CYP2A6 (0.46) CYP2A6KDM1AALDH1A1
SCHEMBL23447235 0.73 CSNK1D (0.37) CSNK1DKIF11RAPGEF4ALDH1A1HTT
SCHEMBL29911045 0.73 CSNK1D (0.37) CSNK1DKIF11RAPGEF4ALDH1A1HTT
SCHEMBL24779265 0.68 TRPV1 (0.33) —
SCHEMBL23450954 0.68 AKR1C3 (0.40) CSNK1DCSNK1G2ALDH1A1HTT
SCHEMBL30872231 0.68 AKR1C3 (0.40) CSNK1DCSNK1G2ALDH1A1HTT
SCHEMBL5622205 0.67 TDO2 (0.43) CSNK1DGSK3BIDO1TDO2
SCHEMBL19735280 0.66 CSNK1D (0.49) CSNK1DCSNK1G2KIF11CSNK1A1GSK3B

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-113906580-B Organic light-emitting element 株式会社LG化学 2023-12-08 — — CN disclosed
Send feedback