SCHEMBL27356726

SCHEMBL27356726

c1ccc2c(-c3c4ccccc4c(-c4coc5c4ccc4ccccc45)c4ccccc34)cccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ ENPP3 O14638 1/20 0.38
▸ ENPP1 P22413 1/20 0.38
▸ HPRT1 P00492 1/20 0.38
▸ SOS1 Q07889 1/20 0.37
▸ DHFR P00374 1/20 0.36
▸ CYP1A2 P05177 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ MAPK1 P28482 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 0.86 HPRT1 (0.50) MEN1KMT2APOLBPTPN1HPRT1
SCHEMBL30302922 0.82 HPRT1 (0.45) MEN1KMT2APOLBPTPN1HPRT1
SCHEMBL30332600 0.80 HPRT1 (0.47) MEN1KMT2APOLBPTPN1ENPP3
SCHEMBL17943884 0.78 ARSA (0.48) MEN1KMT2AHPRT1CYP1A2ALDH1A1
SCHEMBL29407412 0.78 ALDH1A1 (0.50) MEN1KMT2APOLBPTPN1HPRT1
SCHEMBL702934 0.78 ALDH1A1 (0.50) MEN1KMT2APOLBPTPN1HPRT1
SCHEMBL11404213 0.77 KMT2A (0.49) MEN1KMT2APOLBPTPN1ENPP3
SCHEMBL22445015 0.77 KMT2A (0.45) MEN1KMT2APOLBPTPN1HPRT1
SCHEMBL31122684 0.76 HPRT1 (0.67) MEN1KMT2AHPRT1SOS1DHFR
SCHEMBL30332595 0.75 HPRT1 (0.45) MEN1KMT2APOLBPTPN1ENPP3

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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