SCHEMBL29353387

SCHEMBL29353387

CCN1CCCc2cc(F)c(N3CCNCC3)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
ATP6V1B2 P21281 1/20 0.43
TBXA2R P21731 1/20 0.43
EDNRA P25101 1/20 0.43
TARBP2 Q15633 1/20 0.43
HRH4 Q9H3N8 8/20 0.38
HRH3 Q9Y5N1 2/20 0.37
KCNH2 Q12809 2/20 0.37
CCNT1 O60563 1/20 0.35
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
CDK6 Q00534 1/20 0.35

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
SCHEMBL29353417 0.78 LMNA (0.46) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL28678768 0.78 LMNA (0.46) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL28296390 0.77 HRH4 (0.38) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL30059715 0.75 HTR2C (0.54) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL29310292 0.66 ALDH1A1 (0.36) LMNAHRH3KCNH2CASP1
SCHEMBL29310289 0.66 ALDH1A1 (0.36) HRH3KCNH2HTR2AHTR2C
SCHEMBL2421661 0.65 HRH4 (0.45) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL24053385 0.64 LMNA (0.38) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL30059728 0.64 MAPT (0.50) LMNAHTR2AHTR2COPRL1
SCHEMBL10774710 0.64 LMNA (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113968857-A Isochrysine analogue prepared from enoxacin as raw material and preparation method and application thereof 郑州工业应用技术学院 2022-01-25 CN claimed
CN-113968857-A Isochrysine analogue prepared from enoxacin as raw material and preparation method and application thereof 郑州工业应用技术学院 2022-01-25 CN disclosed