SCHEMBL8566513

SCHEMBL8566513

O=[N+]([O-])c1cc(O)c2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.44
CTSB P07858 1/20 0.43
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
KMT2A Q03164 7/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 3/20 0.42
GLA P06280 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MYC P01106 1/20 0.42
MAX P61244 1/20 0.42
MEN1 O00255 6/20 0.42
MAPT P10636 5/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL8567404 0.81 KMT2A (0.45) KMT2AALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL3298254 0.81 KMT2A (0.54) CASP6ABCG2KMT2AALDH1A1SMN1; SMN2
SCHEMBL8563618 0.80 ALDH1A1 (0.59) KMT2AALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL10532542 0.79 ALDH1A1 (0.45) CTSBKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3272390 0.79 MAPT (0.58) KMT2AALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL8569955 0.79 KMT2A (0.42) KMT2AALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL3956436 0.79 NCF1 (0.51) KMT2AALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL8563079 0.78 NCOA1 (0.54) KMT2AALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL8564716 0.78 MAPT (0.47) KMT2AALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL8564388 0.78 ALDH1A1 (0.48) CASP6KMT2AALDH1A1SMN1; SMN2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed