SCHEMBL29029012

SCHEMBL29029012

CCn1cc(C(=O)C=Cc2ccc(Cl)cc2)c(=O)c2cc(F)c(N3CCN(C)CC3)nc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ ATP6V1B2 P21281 1/20 0.56
▸ TBXA2R P21731 1/20 0.56
▸ EDNRA P25101 1/20 0.56
▸ TARBP2 Q15633 1/20 0.56
▸ DRD3 P35462 1/20 0.44
▸ GAA P10253 2/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ ENPP2 Q13822 2/20 0.41
▸ KDM4E B2RXH2 7/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40

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
SCHEMBL28576998 0.93 LMNA (0.58) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL28576985 0.92 LMNA (0.57) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL28913863 0.92 LMNA (0.57) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL30561560 0.92 LMNA (0.69) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL28577053 0.92 LMNA (0.56) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL28582637 0.92 LMNA (0.61) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL28569583 0.90 LMNA (0.55) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL28580295 0.89 LMNA (0.53) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL29029010 0.87 LMNA (0.53) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL30421788 0.86 LMNA (0.54) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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
CN-112824405-B Acrylic ketone derivative of N-methyl enoxacin and preparation method and application thereof 河南大学 2023-06-02 — — CN disclosed
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