SCHEMBL8035846

SCHEMBL8035846

C=CCCNCC=CCOc1ccc(C(=O)c2ccc(Br)cc2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 7/20 0.43
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMPD1 P17405 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3669374 0.90 LSS (0.44) LSSKDM4ELMNAMAPK1MEN1
SCHEMBL7767787 0.88 LSS (0.40) LSSKDM4ELMNAMAPK1MEN1
SCHEMBL8047705 0.87 PPARD (0.38) LSSKDM4ELMNAMAPK1HPGD
SCHEMBL8047273 0.87 IL2 (0.35) KDM4EACHEALDH1A1
SCHEMBL8035630 0.84 LSS (0.60) LSSLMNAMAPK1MEN1KMT2A
SCHEMBL8035731 0.82 KDM4E (0.47) LSSKDM4ELMNAMEN1KMT2A
SCHEMBL7771933 0.82 LMNA (0.37) LSSKDM4ELMNAMEN1KMT2A
SCHEMBL8035571 0.82 LSS (0.52) LSSKDM4EMEN1KMT2AALDH1A1
SCHEMBL8035588 0.80 EZH2 (0.35) LMNAMEN1KMT2AACHE
SCHEMBL8047384 0.80 LSS (0.43) LSSLMNAMAPK1MEN1KMT2A

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
EP-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 EP claimed