SCHEMBL4749166

SCHEMBL4749166

O=[N+]([O-])c1c(Cl)cc(F)cc1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.40
HPRT1 P00492 1/20 0.39
MAPT P10636 5/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
MCL1 Q07820 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AHR P35869 1/20 0.37
PTGS2 P35354 3/20 0.36
EPAS1 Q99814 2/20 0.36
LMNA P02545 2/20 0.36
VEGFA P15692 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL15956613 0.78 ALDH1A1 (0.67) TSHRALDH1A1MAPK1MAPTRAB9A
SCHEMBL29133258 0.75 ATM (0.47) HPRT1TDP1PTGS2GCGRMAPK14
SCHEMBL9519907 0.71 TSHR (0.39) TSHRALDH1A1MAPK1HPRT1MAPT
SCHEMBL4787759 0.70 AHR (0.42) TSHRRAB9ANPC1MEN1KMT2A
SCHEMBL28812785 0.69 PTGS2 (0.41) ALDH1A1HPRT1MAPTNPC1POLB
SCHEMBL28493859 0.69 HPRT1 (0.50) TSHRALDH1A1HPRT1RAB9AKMT2A
SCHEMBL2551739 0.69 MAPK1 (0.53) TSHRALDH1A1MAPK1MAPTMEN1
SCHEMBL2493681 0.69 ALDH1A1 (0.41) TSHRALDH1A1MAPTRAB9ANPC1
SCHEMBL9733977 0.68 HSD17B10 (0.58) TSHRALDH1A1MAPK1MAPTRAB9A
SCHEMBL29107305 0.68 HPRT1 (0.49) TSHRALDH1A1HPRT1MAPTRAB9A

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-2008122555-A1 2-NITRO-5-FLUORO-3',4'-DICHLOROBIPHENYL AND METHOD FOR THE PRODUCTION THEREOF SALTIGO GMBH (DE) 2008-10-16 WO claimed