SCHEMBL27357003

SCHEMBL27357003

c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5coc6c5ccc5ccccc56)c5ccccc45)c4ccccc34)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ CYP1A2 P05177 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ DNMT1 P26358 1/20 0.37
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ ARSA P15289 1/20 0.36

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
SCHEMBL30332826 0.83 HPRT1 (0.50) MEN1KMT2APOLBPTPN1CYP1A2
SCHEMBL30332600 0.81 HPRT1 (0.47) MEN1KMT2APOLBPTPN1CYP1A2
SCHEMBL30302922 0.79 HPRT1 (0.45) MEN1KMT2APOLBPTPN1CYP1A2
SCHEMBL30302706 0.79 ALDH1A1 (0.38) MEN1KMT2APOLBPTPN1CYP1A2
SCHEMBL20334473 0.76 ARSA (0.43) MEN1KMT2ACYP1A2ALDH1A1CYP2C19
SCHEMBL17943884 0.76 ARSA (0.48) MEN1KMT2ACYP1A2ALDH1A1CYP2C19
SCHEMBL702934 0.75 ALDH1A1 (0.50) MEN1KMT2APOLBPTPN1CYP1A2
SCHEMBL29407412 0.75 ALDH1A1 (0.50) MEN1KMT2APOLBPTPN1CYP1A2
SCHEMBL11404213 0.75 KMT2A (0.49) MEN1KMT2APOLBPTPN1CYP1A2
SCHEMBL25401068 0.74 HPRT1 (0.56) MEN1KMT2ACYP1A2ALDH1A1CYP2C19

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-2024005428-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-01-04 — — WO disclosed
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