SCHEMBL9729547

SCHEMBL9729547

O=[N+]([O-])c1ccc([CH]c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
NPBWR1 P48145 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAOB P27338 3/20 0.46
MAOA P21397 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44

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
SCHEMBL11019081 0.86 MEN1 (0.53) TSHRMAPK1MAOBMAOAMEN1
SCHEMBL11020635 0.86 MEN1 (0.53) TSHRMAPK1MAOBMAOAMEN1
SCHEMBL11023346 0.86 MEN1 (0.53) TSHRMAPK1MAOBMAOAMEN1
SCHEMBL14880514 0.81 MAOB (0.58) MAOBMAOAALDH1A1SMN1; SMN2NPC1
SCHEMBL9591612 0.80 TDP1 (0.56) TSHRTDP1ALDH1A1NPC1MAPT
SCHEMBL11020247 0.76 KMT2A (0.60) NPBWR1MAOBMAOAALDH1A1HPGD
SCHEMBL29395323 0.75 NPBWR1 (0.52) TSHRMAPK1NPBWR1TDP1ALDH1A1
SCHEMBL439935 0.74 APP (0.64) TSHRALDH1A1NPC1LMNAMAPT
SCHEMBL9592335 0.74 TDP1 (0.48) TDP1ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL3366106 0.73 MAOB (0.68) MAOBMAOAMEN1KMT2ANPC1

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
US-5171354-A Herbicides CIBA-GEIGY CORPORATION (US) 1992-12-15 US disclosed