SCHEMBL24901503

SCHEMBL24901503

OCC(F)Oc1ccc(Br)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.48
AAK1 Q2M2I8 2/20 0.39
USP28 Q96RU2 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
DGAT1 O75907 1/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 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
SCHEMBL246292 0.80 SLC6A4 (0.47) SLC6A4AAK1KDM4EPOLBPKM
SCHEMBL29517897 0.80 SLC6A4 (0.47) SLC6A4AAK1KDM4EPOLBPKM
SCHEMBL1330449 0.74 SLC6A4 (0.49) SLC6A4AAK1POLBDGAT1SMN1; SMN2
SCHEMBL2094492 0.74 KDM4E (0.47) SLC6A4AAK1USP28KDM4EPOLB
SCHEMBL8157087 0.74 SLC6A4 (0.43) SLC6A4AAK1DGAT1PPARGPPARA
SCHEMBL10337712 0.72 SLC6A4 (0.42) SLC6A4KDM4EPOLBPKMDGAT1
SCHEMBL21057235 0.72 PPARG (0.44) SLC6A4AAK1KDM4EPOLBPKM
SCHEMBL21057233 0.72 PPARG (0.44) SLC6A4AAK1KDM4EPOLBPKM
SCHEMBL6656426 0.72 SLC6A4 (0.45) SLC6A4AAK1KDM4EPOLBPKM
SCHEMBL24901513 0.72 SLC6A4 (0.42) SLC6A4AAK1DGAT1MEN1KMT2A

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-2023286768-A1 HYDROGENATED QUINOXALINES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 WO disclosed