SCHEMBL23535461

SCHEMBL23535461

O=[N+]([O-])c1cc(Br)c(F)cc1CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
SNCA P37840 1/20 0.39
MAPT P10636 3/20 0.37
PKM P14618 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CTSB P07858 1/20 0.34
VCP P55072 1/20 0.33

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
SCHEMBL18531440 0.87 TDO2 (0.42) TDO2TDP1ATMSNCAMAPT
SCHEMBL20247288 0.81 ATM (0.43) TDO2TDP1ATMSNCAMAPT
SCHEMBL31434883 0.81 ATM (0.43) TDO2TDP1ATMSNCAMAPT
SCHEMBL17466058 0.80 MAPT (0.42) TDO2TDP1ATMSNCAMAPT
SCHEMBL15577394 0.79 CYP1A2 (0.53) TDO2TDP1ATMSNCAMAPT
SCHEMBL29706788 0.79 CYP1A2 (0.53) TDO2TDP1ATMSNCAMAPT
SCHEMBL16017314 0.79 ALDH1A1 (0.43) TDO2TDP1ATMSNCAMAPT
SCHEMBL30886409 0.78 TDO2 (0.39) TDO2TDP1ATMSNCAMAPT
SCHEMBL535368 0.78 TDO2 (0.36) TDO2TDP1ATMSNCAMAPT
SCHEMBL6630381 0.77 ATM (0.42) TDO2TDP1ATMSNCAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076459-A1 PRMT5 INHIBITORS Merck Sharp & Dohme LLC (US) 2022-10-26 EP disclosed
WO-2021126728-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed