SCHEMBL8599261

SCHEMBL8599261

CCCCCc1cc([N+](=O)[O-])nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
GAA P10253 3/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
TLR8 Q9NR97 12/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
USP2 O75604 1/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 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
SCHEMBL8563057 0.81 POLB (0.46) ALDH1A1GAAMAPTLMNAKDM4E
SCHEMBL8597322 0.80 NCF1 (0.48) ALDH1A1GAAMAPTLMNATLR8
SCHEMBL8598313 0.79 SLC2A1 (0.49) MAPTLMNATLR8CYP2C19SMN1; SMN2
SCHEMBL8597921 0.79 TLR8 (0.43) ALDH1A1GAAMAPTLMNATLR8
SCHEMBL8597050 0.78 ALDH1A1 (0.43) ALDH1A1GAAMAPTLMNACYP3A4
SCHEMBL8598916 0.78 TXNRD1 (0.44) ALDH1A1GAAMAPTLMNACYP3A4
SCHEMBL8570733 0.78 ALDH1A1 (0.46) ALDH1A1GAAMAPTCYP3A4KDM4E
SCHEMBL8600211 0.77 ALDH1A1 (0.55) ALDH1A1GAAMAPTLMNATLR8
SCHEMBL8562778 0.77 RIPK1 (0.47) ALDH1A1GAAMAPTKDM4EGLA
SCHEMBL7595723 0.76 ALDH1A1 (0.50) ALDH1A1GAAMAPTLMNATLR8

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