SCHEMBL21881045

SCHEMBL21881045

CC1CC=CC=C1c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ RXRA P19793 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ AVPR1A P37288 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.30
▸ OXTR P30559 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
SCHEMBL29335662 0.92 PTGER4 (0.38) HDAC4L3MBTL1KDM4EATMRXRA
SCHEMBL26000317 0.88 PTGER4 (0.36) HDAC4L3MBTL1KDM4EATMPTGER4
SCHEMBL18945078 0.86 MEN1 (0.30) —
SCHEMBL23654905 0.84 — —
SCHEMBL21849930 0.84 MEN1 (0.33) ATMTSHRMAPK1HSD17B10ABCG2
SCHEMBL25561761 0.83 — —
SCHEMBL23714433 0.83 KDM4E (0.38) HDAC4L3MBTL1KDM4EATMPTPN1
SCHEMBL23284397 0.83 PTGER4 (0.33) L3MBTL1KDM4EATMPTGER4
SCHEMBL23309049 0.79 L3MBTL1 (0.59) HDAC4L3MBTL1KDM4EATMRXRA
SCHEMBL13100553 0.79 L3MBTL1 (0.59) HDAC4L3MBTL1KDM4EATMRXRA

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-2020060280-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2020-03-26 — — WO disclosed
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