SCHEMBL27403741

SCHEMBL27403741

Oc1ccc2ccccc2c1-c1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ NTSR1 P30989 1/20 0.49
▸ CYP1A2 P05177 6/20 0.48
▸ CYP2C9 P11712 6/20 0.48
▸ CYP2C19 P33261 6/20 0.48
▸ HSD17B1 P14061 5/20 0.48
▸ HSD17B2 P37059 5/20 0.48
▸ CYP3A4 P08684 4/20 0.48
▸ CYP2D6 P10635 4/20 0.48
▸ CYP2B6 P20813 4/20 0.48
▸ MAPT P10636 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ ALOX5 P09917 2/20 0.44
▸ IDO1 P14902 1/20 0.43

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
SCHEMBL27403260 0.96 MEN1 (0.51) MEN1KMT2ANTSR1CYP1A2CYP2C9
SCHEMBL22639434 0.91 HSD17B1 (0.50) MEN1KMT2ANTSR1CYP1A2CYP2C9
SCHEMBL27403857 0.90 MEN1 (0.58) MEN1KMT2ANTSR1CYP1A2CYP2C9
SCHEMBL27403203 0.90 MEN1 (0.58) MEN1KMT2ANTSR1CYP1A2CYP2C9
SCHEMBL22639448 0.84 ESR1 (0.58) MEN1KMT2ANTSR1CYP1A2CYP2C9
SCHEMBL25260652 0.82 MEN1 (0.46) MEN1KMT2ANTSR1CYP1A2MAPT
SCHEMBL30098841 0.82 MEN1 (0.46) MEN1KMT2ANTSR1CYP1A2MAPT
SCHEMBL26508896 0.80 MEN1 (0.46) MEN1KMT2ANTSR1CYP2C19MAPT
SCHEMBL20962174 0.80 ESR1 (0.55) MEN1KMT2ANTSR1CYP1A2CYP2C9
SCHEMBL19130824 0.79 MEN1 (0.56) MEN1KMT2ANTSR1MAPTALDH1A1

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-2024122840-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-06-13 — — WO disclosed
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