SCHEMBL29934878

SCHEMBL29934878

COc1cc(F)c([N+](=O)[O-])cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
PRKDC P78527 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.42
ESPL1 Q14674 1/20 0.41
HIF1A Q16665 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 2/20 0.40
TTR P02766 1/20 0.39
VCAM1 P19320 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
SCHEMBL4306952 1.00 ALDH1A1 (0.44) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL10567265 0.93 ALDH1A1 (0.47) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL29785367 0.86 ALDH1A1 (0.44) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL12491675 0.86 ALDH1A1 (0.44) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL1766175 0.85 ALDH1A1 (0.58) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL31377991 0.85 ALDH1A1 (0.58) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL4103425 0.84 MAPT (0.49) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL30230904 0.84 ALDH1A1 (0.48) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL30801468 0.84 ALDH1A1 (0.48) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL4279356 0.84 ALDH1A1 (0.48) ALDH1A1TDP1MAPTKDM4ECYP3A4

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
EP-4058435-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2022-09-21 EP disclosed