SCHEMBL9053434

SCHEMBL9053434

O=C(O)CCc1ccc(-c2nc(-c3ccc4c(c3)CCNCC4)cs2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 14/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
DVL1 O14640 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL9058459 0.89 DVL1 (0.39) EIF4ENPC1RAB9AKDM4EALDH1A1
SCHEMBL9053277 0.86 LMNA (0.43) KDM4EALDH1A1LMNAFFAR4TP53
SCHEMBL9055466 0.75 ALDH1A1 (0.46) EIF4ERAB9AKDM4EALDH1A1DVL1
SCHEMBL9053431 0.75 LMNA (0.38) KDM4EALDH1A1LMNADVL1FFAR4
Hydrochloric Acid SCHEMBL9057948 0.72 DVL1 (0.56) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL9056734 0.71 RXRA (0.44) LMNAFFAR4
SCHEMBL9056435 0.70 HPGDS (0.41) NPC1RAB9AALDH1A1DVL1FFAR4
SCHEMBL9056444 0.70 HPGDS (0.41) NPC1RAB9AALDH1A1DVL1FFAR4
Hydrochloric Acid SCHEMBL9057145 0.69 HPGDS (0.40) NPC1RAB9AALDH1A1DVL1FFAR4
SCHEMBL9056558 0.64 RXRA (0.42) LMNADVL1FFAR4

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