SCHEMBL5716680

SCHEMBL5716680

O=[N+]([O-])C(Cl)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
FBP1 P09467 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
ACP3 P15309 1/20 0.42
CNR1 P21554 1/20 0.40
MAPK1 P28482 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX5 P09917 1/20 0.36
AOC3 Q16853 1/20 0.35
DOT1L Q8TEK3 1/20 0.34

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
SCHEMBL28911425 0.82 ALDH1A1 (0.52) ALDH1A1TDP1FBP1MEN1KMT2A
SCHEMBL3325718 0.81 TSHR (0.50) ALDH1A1TDP1FBP1KMT2AACP3
SCHEMBL4851936 0.78 ALDH1A1 (0.47) ALDH1A1TDP1FBP1MEN1KMT2A
SCHEMBL302712 0.77 TSHR (0.46) ALDH1A1TDP1FBP1MEN1KMT2A
SCHEMBL7755670 0.75 ALDH1A1 (0.44) ALDH1A1TDP1FBP1MEN1KMT2A
SCHEMBL6100121 0.75 MEN1 (0.47) ALDH1A1TDP1FBP1MEN1KMT2A
SCHEMBL27551141 0.73 ACP3 (0.48) ALDH1A1TDP1MEN1KMT2AACP3
SCHEMBL29712699 0.72 ACP3 (0.47) ALDH1A1MEN1KMT2AACP3TSHR
SCHEMBL11614094 0.72 ACP3 (0.47) ALDH1A1MEN1KMT2AACP3TSHR
SCHEMBL5318844 0.72 TSHR (0.50) ALDH1A1MEN1KMT2AACP3TSHR

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-1727804-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-12-06 EP disclosed
WO-2005095351-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2005-10-13 WO disclosed