SCHEMBL8630906

SCHEMBL8630906

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TXNRD1 Q16881 3/20 0.38
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GSR P00390 1/20 0.37
VCAM1 P19320 1/20 0.37

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
SCHEMBL8600014 0.82 TXNRD1 (0.49) ALDH1A1MAPTLMNAGAACYP1A2
SCHEMBL8561585 0.81 PIN1 (0.41) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL8625854 0.81 CA2 (0.42) ALDH1A1MAPTLMNAGAACYP1A2
SCHEMBL8595165 0.80 LTB4R (0.49) ALDH1A1MAPTLMNAGAACYP1A2
SCHEMBL8598728 0.80 ALDH1A1 (0.43) ALDH1A1MAPTLMNAGAACYP1A2
SCHEMBL8628924 0.79 PIM1 (0.37) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL8627624 0.77 MAPT (0.39) ALDH1A1MAPTLMNAGAACYP1A2
SCHEMBL8926779 0.76 TLR8 (0.41) ALDH1A1MAPTLMNAGAACYP1A2
SCHEMBL8629877 0.76 LMNA (0.38) ALDH1A1MAPTLMNAGAACYP1A2
SCHEMBL8926837 0.76 LMNA (0.38) ALDH1A1MAPTLMNAGAACYP1A2

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