SCHEMBL22425502

SCHEMBL22425502

c1ccc(-c2ccccc2-n2c3ccccc3c3cc(-c4ccc5[nH]c6c7ccccc7ccc6c5c4)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.44
▸ CDK4 P11802 10/20 0.38
▸ CCND1 P24385 10/20 0.38
▸ CCNB2 O95067 1/20 0.38
▸ CCNE2 O96020 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNB3 Q8WWL7 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ NPY5R Q15761 1/20 0.33
▸ TSPO P30536 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ HTR5A P47898 1/20 0.33
▸ MPL P40238 1/20 0.32

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
SCHEMBL19213875 0.88 KIF11 (0.49) KIF11CDK4CCND1KDM4EALDH1A1
SCHEMBL262826 0.87 HPGD (0.38) KIF11CDK4CCND1KDM4EALDH1A1
SCHEMBL29436282 0.85 HPGD (0.39) KIF11CDK4CCND1KDM4EALDH1A1
SCHEMBL262275 0.85 HPGD (0.39) KIF11CDK4CCND1KDM4EALDH1A1
SCHEMBL22876495 0.82 POLB (0.41) KDM4EALDH1A1NPY5RTSPO
SCHEMBL25941285 0.82 POLB (0.41) KDM4EALDH1A1NPY5RTSPO
SCHEMBL22876426 0.82 ATM (0.44) KDM4EALDH1A1LMNAHSD17B10NPY5R
SCHEMBL22876298 0.82 ATM (0.44) KDM4EALDH1A1LMNAHSD17B10NPY5R
SCHEMBL25671847 0.82 ATM (0.44) KDM4EALDH1A1LMNAHSD17B10NPY5R
SCHEMBL29994040 0.82 CDK4 (0.39) KIF11CDK4CCND1CCNB2CCNE2

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-2020185059-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2020-09-17 — — WO disclosed
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