SCHEMBL11522006

SCHEMBL11522006

COc1ccc(C)c([N+](=O)[O-])c1NC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 7/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.43
NQO2 P16083 3/20 0.42
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.40
EPHX1 P07099 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL3635793 0.84 ALDH1A1 (0.47) KDM4ETDP1ALDH1A1LMNAHTT
SCHEMBL2849122 0.79 POLB (0.48) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL11523050 0.79 RORC (0.46) KDM4EPOLBTDP1ALDH1A1LMNA
SCHEMBL1646973 0.78 ALDH1A1 (0.41) KDM4EPOLBTDP1ALDH1A1HTT
SCHEMBL20268335 0.78 TDP1 (0.42) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL2309314 0.77 ALDH1A1 (0.54) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL9629641 0.75 TDP1 (0.61) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL3449044 0.75 ALDH1A1 (0.56) KDM4EPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL10432525 0.74 LMNA (0.47) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL10732474 0.74 ALDH1A1 (0.50) KDM4EPOLBCTDSP1TDP1L3MBTL1

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-4151203-A Process for the preparation of p-nitroaniline compounds by the alkaline hydrolysis of mixed anilides EASTMAN KODAK COMPANY (US) 1979-04-24 US disclosed