SCHEMBL30003353

SCHEMBL30003353

COc1ccc(NCc2coc3ccccc23)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.47
▸ KDM4C Q9H3R0 1/20 0.46
▸ MAOB P27338 2/20 0.46
▸ PSMB5 P28074 4/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ MTNR1A P48039 2/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL30956090 0.79 MAOB (0.59) GAAALDH1A1MAOBPSMB5KMT2A
SCHEMBL28390935 0.76 GAA (0.71) LMNAGAAALDH1A1MAOBL3MBTL1
SCHEMBL28902178 0.71 MAOB (0.60) LMNAALDH1A1KDM4CMAOBL3MBTL1
SCHEMBL30956075 0.71 MAOB (0.52) LMNAGAAALDH1A1KDM4CMAOB
SCHEMBL28902182 0.71 MAOB (0.74) GAAALDH1A1MAOBPSMB5KMT2A
SCHEMBL31744579 0.70 PSMB5 (0.49) ALDH1A1KDM4CMAOBPSMB5MAPT
SCHEMBL20208682 0.70 CYP1A2 (0.54) —
SCHEMBL3319344 0.70 GAA (0.47) LMNAGAAALDH1A1L3MBTL1MAPT
SCHEMBL3114555 0.70 EGFR (0.47) LMNAGAAKMT2AMEN1SMN1; SMN2
SCHEMBL30956067 0.70 KDM4C (0.51) KDM4CMAOBPSMB5CA2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 — — CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 — — CN disclosed
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