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Sugi Predict / Compounds / SCHEMBL21320229

SCHEMBL21320229

SCHEMBL21320229

C1=Cc2c(n(-c3ccccc3)c3ccc(-c4cccc(-n5c6ccccc6c6ccc(-c7ccc(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)cc7)cc65)c4)cc23)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ NTSR1 P30989 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ AVPR1A P37288 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
SCHEMBL21319929 1.00 KDM4E (0.32) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL24860522 0.94 KDM4E (0.34) KDM4EATML3MBTL1
SCHEMBL21319946 0.93 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL16901038 0.92 ATM (0.38) KDM4EATML3MBTL1KMT2AALDH1A1
SCHEMBL6467452 0.91 CYP1A1 (0.32) KDM4EATML3MBTL1
SCHEMBL23204746 0.91 ATM (0.38) KDM4EATML3MBTL1ALDH1A1
SCHEMBL20960220 0.90 MEN1 (0.33) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL12966441 0.90 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL25916046 0.90 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL10252365 0.90 TUBB4A (0.30) KDM4EATML3MBTL1

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
EP-3015465-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2019-09-04 — — EP disclosed
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