SCHEMBL26932332

SCHEMBL26932332

CC1(C)CCC(C)(C)c2c(-c3cc4c(cc3N)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NOS2 P35228 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ PDK2 Q15119 2/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31

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
SCHEMBL30714377 0.92 OPRK1 (0.44) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL26922602 0.92 OPRK1 (0.44) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL26922464 0.89 NOS2 (0.32) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL30714390 0.89 NOS2 (0.32) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL26932373 0.86 KDM4E (0.34) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL26932195 0.81 RARB (0.49) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL26951222 0.79 — —
SCHEMBL26948800 0.78 RXRA (0.31) RARBRARGRXRA
SCHEMBL30714388 0.76 TP53 (0.31) TP53CYP1A2RARBRARGRXRA
SCHEMBL26922856 0.76 TP53 (0.31) TP53CYP1A2RARBRARGRXRA

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-2023239092-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-12-14 — — WO disclosed
Send feedback