SCHEMBL16276665

SCHEMBL16276665

Brc1ccc2[nH]c3oc4ccccc4c3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 5/20 0.46
▸ CDK1 P06493 5/20 0.46
▸ CCNB1 P14635 5/20 0.46
▸ CCNB3 Q8WWL7 5/20 0.46
▸ CDK2 P24941 4/20 0.46
▸ CCNE2 O96020 3/20 0.46
▸ CCNE1 P24864 3/20 0.46
▸ CDK4 P11802 2/20 0.46
▸ CCND1 P24385 2/20 0.46
▸ GABRP O00591 2/20 0.45
▸ GABRD O14764 2/20 0.45
▸ GABRA1 P14867 2/20 0.45
▸ GABRB1 P18505 2/20 0.45
▸ GABRG2 P18507 2/20 0.45
▸ GABRB3 P28472 2/20 0.45
▸ GABRA5 P31644 2/20 0.45
▸ GABRA3 P34903 2/20 0.45
▸ GABRA2 P47869 2/20 0.45
▸ GABRB2 P47870 2/20 0.45
▸ GABRA4 P48169 2/20 0.45

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
SCHEMBL20712297 0.88 CDK5 (0.46) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL28648000 0.83 GABRP (0.47) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL31606608 0.81 ALDH1A1 (0.44) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL15024931 0.81 ALDH1A1 (0.44) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL24430896 0.78 KIF11 (0.56) CDK1CDK2GABRA1GABRG2GABRB3
SCHEMBL12105396 0.78 AR (0.52) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL8819252 0.78 GABRP (0.45) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL28628974 0.75 AR (0.49) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL8818417 0.74 CYP1A2 (0.47) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL19830540 0.74 CYP1A2 (0.54) CCNB2CDK1CCNB1CCNB3CDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021241882-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-12-02 — — WO disclosed
WO-2014193153-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 동진쎄미켐 (KR) 2014-12-04 — — WO disclosed
Send feedback