SCHEMBL9053431

SCHEMBL9053431

O=C(O)CCc1ccc(-c2nc(Cc3ccc4c(c3)CCNCC4)cs2)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 5/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
SHMT1 P34896 2/20 0.33
SHMT2 P34897 2/20 0.33
TP53 P04637 1/20 0.33
DVL1 O14640 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MLNR O43193 2/20 0.32
CYP2D6 P10635 1/20 0.32
TGFBR1 P36897 1/20 0.32

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
SCHEMBL9053277 0.89 LMNA (0.43) LMNAKDM4EHPGDALDH1A1GAA
SCHEMBL9058459 0.86 DVL1 (0.39) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL9053434 0.75 EIF4E (0.39) LMNAKDM4EHPGDALDH1A1MAPT
SCHEMBL9056734 0.71 RXRA (0.44) LMNAFFAR4
Hydrochloric Acid SCHEMBL20509927 0.69 RXRA (0.50) MLNRCYP2D6
Succinic Acid SCHEMBL174914 0.63 HTR2C (0.45) ALDH1A1MLNRCYP2D6
SCHEMBL9408051 0.63 LMNA (0.55) LMNAKDM4EHPGDALDH1A1GAA
SCHEMBL20510025 0.63 PLAU (0.53)
Hydrochloric Acid SCHEMBL9057948 0.62 DVL1 (0.56) LMNAKDM4EHPGDALDH1A1MAPT
SCHEMBL9555508 0.62 LMNA (0.73) LMNAKDM4EHPGDALDH1A1GAA

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