SCHEMBL9765161

SCHEMBL9765161

COc1ccc(Cl)c(OC)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.49
KDM4E B2RXH2 3/20 0.49
POLB P06746 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.45
MAPT P10636 4/20 0.44
BLM P54132 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL10977111 0.89 GRIN2D (0.50) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL10979888 0.83 TDP1 (0.50) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL10962625 0.81 MEN1 (0.51) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL1624471 0.80 TDP1 (0.47) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL2848439 0.80 TDP1 (0.51) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL25257569 0.80 TDP1 (0.47) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL1179747 0.80 TDP1 (0.62) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL29396391 0.80 TDP1 (0.62) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL10534522 0.79 ALDH1A1 (0.53) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL20797428 0.79 TDP1 (0.46) TDP1KDM4EPOLBCTDSP1L3MBTL1

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-5041671-A Process for the preparation 4-chloro-2,5-dimethoxy-aniline HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed