SCHEMBL9053277

SCHEMBL9053277

O=C(O)CCc1ccc(-c2nc(Cc3ccc4c(c3)CCNCC4)cs2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
MLNR O43193 2/20 0.39
CYP2D6 P10635 2/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
FFAR4 Q5NUL3 4/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 2/20 0.35
SHMT2 P34897 1/20 0.35
ATM Q13315 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
SCHEMBL9053431 0.89 LMNA (0.38) LMNAMLNRCYP2D6KDM4EHPGD
SCHEMBL9053434 0.86 EIF4E (0.39) LMNAKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL9058459 0.75 DVL1 (0.39) KDM4EHPGDALDH1A1SMN1; SMN2TP53
SCHEMBL9056734 0.71 RXRA (0.44) LMNAFFAR4RXRARXRBRXRG
Hydrochloric Acid SCHEMBL20509927 0.69 RXRA (0.50) MLNRCYP2D6RXRARXRBRXRG
Succinic Acid SCHEMBL174914 0.63 HTR2C (0.45) MLNRCYP2D6ALDH1A1RXRARXRB
SCHEMBL20510025 0.63 PLAU (0.53) RXRARXRBRXRG
SCHEMBL9408051 0.63 LMNA (0.55) LMNAKDM4EHPGDALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9057948 0.62 DVL1 (0.56) LMNAKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL9555570 0.62 LMNA (1.00) LMNAKDM4EHPGDALDH1A1SMN1; SMN2

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-1996004271-A1 CONDENSED AZEPINE DERIVATIVES, DRUGS CONTAINING THESE COMPOUNDS AND METHODS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-02-15 WO disclosed