SCHEMBL30764008

SCHEMBL30764008

COc1cc(C#N)ccc1C=C(C#N)C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SLC16A3 O15427 7/20 0.51
▸ SLC16A1 P53985 7/20 0.51
▸ ADORA2A P29274 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ AR P10275 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 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
SCHEMBL2463716 0.86 GAA (0.48) CYP1A2CYP3A4CYP2C9KDM4ELMNA
SCHEMBL18583719 0.86 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9KDM4ELMNA
SCHEMBL30605984 0.82 SLC16A3 (0.44) CYP1A2CYP3A4CYP2C9KDM4ELMNA
SCHEMBL18583583 0.82 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9KDM4ELMNA
SCHEMBL23142439 0.81 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C9KDM4ELMNA
SCHEMBL18583806 0.81 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C9KDM4ELMNA
SCHEMBL31295841 0.81 CYP3A4 (0.43) CYP1A2CYP3A4CYP2C9KDM4ELMNA
SCHEMBL18583713 0.81 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C9KDM4ELMNA
SCHEMBL29295014 0.77 CYP3A4 (0.39) CYP1A2CYP3A4CYP2C9KDM4ELMNA
SCHEMBL3622141 0.77 MAPT (0.54) CYP1A2CYP3A4CYP2C9KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119585263-A Phenyl substituted dihydro Cai compounds and preparation and application thereof 苏中药业集团股份有限公司 2025-03-07 — — CN disclosed
CN-119306715-A Crystal of phenyl substituted dihydronaphthyridine compound and application thereof 苏中药业集团股份有限公司 2025-01-14 — — CN disclosed
CN-119302952-A Pharmaceutical preparation containing phenyl substituted dihydronaphthyridine compound and application thereof 苏中药业集团股份有限公司 2025-01-14 — — CN disclosed
WO-2024022481-A1 PHENYL-SUBSTITUTED DIHYDRONAPHTHYRIDINE COMPOUNDS, AND PREPARATION AND USE THEREOF 苏中药业集团股份有限公司 2024-02-01 — — WO disclosed
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