SCHEMBL26454101

SCHEMBL26454101

CC(I)=P(c1ccccc1)(c1ccccc1)c1ccc(C)cc1S

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NQO2 P16083 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
SCHEMBL26087623 0.73 POLB (0.48) HTTKDM4EPOLBMAPTNPC1
SCHEMBL6810542 0.73 CA2 (0.40) POLB
SCHEMBL5605849 0.64 LMNA (0.48) HTTKDM4EPOLBMAPTLMNA
Benzene SCHEMBL27902258 0.62 ACHE (0.43) LMNANQO2
SCHEMBL25797392 0.62 HPGD (0.48) HTTKDM4EPOLBMAPTNPC1
SCHEMBL11330698 0.61 TDP1 (0.44) KDM4ELMNANQO2
SCHEMBL14189073 0.60 POLB (0.59) HTTKDM4EPOLBMAPT
SCHEMBL5568513 0.60 CA2 (0.43) —
SCHEMBL10629178 0.59 ESR2 (0.48) KDM4EPOLBMAPTNPC1LMNA
SCHEMBL4401222 0.59 HPGD (0.48) HTTKDM4EPOLBMAPTNPC1

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-2023068824-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME 주식회사 엘지화학 2023-04-27 — — WO disclosed
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