SCHEMBL20439307

SCHEMBL20439307

N[C@@H](COc1cc(OCc2ccccc2)ccc1Br)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.44
SCN4A P35499 5/20 0.42
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AR P10275 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
ALOX5 P09917 1/20 0.40
PTPN1 P18031 2/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL20439308 1.00 MAOB (0.44) MAOBSCN4AKMT2ASMN1; SMN2AR
SCHEMBL5355437 0.93 SCN4A (0.48) MAOBSCN4AKMT2ASMN1; SMN2ALOX5
SCHEMBL20439319 0.93 SCN4A (0.48) MAOBSCN4AKMT2ASMN1; SMN2ALOX5
SCHEMBL20439314 0.90 SCN4A (0.43) MAOBSCN4AKMT2ASMN1; SMN2ALOX5
SCHEMBL20439378 0.86 KMT2A (0.40) MAOBKMT2ASMN1; SMN2FFAR1MEN1
SCHEMBL20439386 0.83 MAOB (0.41) MAOBKMT2AARFFAR1FFAR4
SCHEMBL20425144 0.81 MAOB (0.43) MAOBKMT2AMEN1ALDH1A1RECQL
SCHEMBL20439360 0.78 DHFR (0.37) MAOBKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL20439375 0.78 DHFR (0.37) MAOBKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL30628889 0.78 MAOB (0.59) MAOBSMN1; SMN2ALOX5MAOA

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-2018138739-A1 NOVEL ANTIESTROGENIC HETEROCYCLIC COMPOUNDS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2018-08-02 WO disclosed