SCHEMBL30715517

SCHEMBL30715517

OC1=C(F)COc2ccc(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 0.47
CYP19A1 P11511 1/20 0.37
MAPT P10636 2/20 0.37
BLM P54132 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
PKM P14618 1/20 0.36
NPR1 P16066 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL30715508 0.86 APP (0.38) APPCYP19A1MAPTBLMLMNA
SCHEMBL30715507 0.81 NOTUM (0.44) CYP19A1MAPTHTTPIK3CAPIK3CB
SCHEMBL30715533 0.79 MAPT (0.40) CYP19A1MAPTLMNAHTTPIK3CA
SCHEMBL30715522 0.76 MAPT (0.50) APPCYP19A1MAPTLMNAHTT
SCHEMBL30171443 0.74 APP (0.46) APPCYP19A1MAPTLMNAHTT
SCHEMBL30715523 0.74 MAOB (0.41) CYP19A1MAPTLMNAALDH1A1RAB9A
SCHEMBL30715529 0.73 NR3C1 (0.42) APPMAPTALDH1A1RAB9ATP53
SCHEMBL30715521 0.71 MAOB (0.37) ALDH1A1
SCHEMBL29706440 0.71 APP (0.55) APPCYP19A1MAPTBLMLMNA
SCHEMBL1143565 0.71 APP (0.55) APPCYP19A1MAPTBLMLMNA

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
CN-117126126-A Method for asymmetrically synthesizing adjacent halohydrin compound 凯特立斯(深圳)科技有限公司 2023-11-28 CN disclosed