SCHEMBL24779292

SCHEMBL24779292

Cc1cc(C(C)(C)C)cc(C)c1Nc1csc2ccc(C(C)(C)C)cc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ RAPGEF4 Q8WZA2 5/20 0.33
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KIF11 P52732 1/20 0.30
▸ POLB P06746 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
SCHEMBL23444395 0.83 KDM4E (0.44) KDM4ERAB9A
SCHEMBL24778558 0.81 KDM4E (0.34) KDM4ETSHRRAB9A
SCHEMBL29292676 0.79 KDM4E (0.41) KDM4EKIF11
SCHEMBL24897277 0.78 KDM4E (0.48) KDM4EHTR1DHTR1BCYP2A6HPGD
SCHEMBL25952526 0.78 L3MBTL1 (0.41) KDM4ETSHR
SCHEMBL25037436 0.77 CYP2A6 (0.56) KDM4EHTR1DCYP2A6HPGDTSHR
SCHEMBL29985567 0.76 NR3C2 (0.40) KDM4ERAB9AKIF11
SCHEMBL25104186 0.75 KDM4E (0.38) KDM4ERAB9A
SCHEMBL30363237 0.74 KDM4E (0.40) KDM4ERAB9AKIF11
SCHEMBL26600104 0.74 KDM4E (0.40) KDM4ERAB9AKIF11

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-2022255634-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2022-12-08 — — WO disclosed
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