SCHEMBL20439378

SCHEMBL20439378

COc1ccc(C(N)COc2cc(OCc3ccccc3)ccc2Br)cc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP15 Q460N3 2/20 0.40
PARP10 Q53GL7 2/20 0.40
MAOB P27338 2/20 0.40
FFAR1 O14842 2/20 0.38
PPARD Q03181 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
NR1H3 Q13133 1/20 0.38
PARP14 Q460N5 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL20439308 0.86 MAOB (0.44) KMT2ASMN1; SMN2MAOBFFAR1ALDH1A1
SCHEMBL20439307 0.86 MAOB (0.44) KMT2ASMN1; SMN2MAOBFFAR1ALDH1A1
SCHEMBL20439319 0.85 SCN4A (0.48) KMT2ASMN1; SMN2MAOBLMNAMAPT
SCHEMBL5355437 0.85 SCN4A (0.48) KMT2ASMN1; SMN2MAOBLMNAMAPT
SCHEMBL20439314 0.83 SCN4A (0.43) KMT2ASMN1; SMN2MAOBLMNAMAPT
SCHEMBL20425127 0.81 ERN1 (0.41) SMN1; SMN2PARP15MAOBFFAR1PPARD
SCHEMBL31725937 0.78 MAOB (0.58) SMN1; SMN2PARP15MAOBLMNAALDH1A1
SCHEMBL6119729 0.78 MAOB (0.58) SMN1; SMN2PARP15MAOBLMNAALDH1A1
SCHEMBL18044481 0.78 MAOB (0.58) SMN1; SMN2MAOBFFAR1PPARDLMNA
SCHEMBL20439449 0.76 NPC1 (0.49) SMN1; SMN2FFAR1PPARDL3MBTL1

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