SCHEMBL9060381

SCHEMBL9060381

Nc1ccc(-c2ccccc2)c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
HPRT1 P00492 1/20 0.46
RAB9A P51151 3/20 0.44
POLB P06746 3/20 0.44
LMNA P02545 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
PTGS2 P35354 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
PSMD14 O00487 1/20 0.42
PRKACA P17612 1/20 0.42
CASP6 P55212 1/20 0.42
NPC1 O15118 2/20 0.41
MAPT P10636 4/20 0.40
GFER P55789 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL29236231 0.88 ALDH1A1 (0.59) ALDH1A1TDP1HPRT1RAB9APOLB
SCHEMBL6011656 0.87 ALDH1A1 (0.47) ALDH1A1TDP1HPRT1RAB9APOLB
SCHEMBL27458439 0.87 ALDH1A1 (0.47) ALDH1A1TDP1HPRT1RAB9APOLB
SCHEMBL153658 0.85 ALDH1A1 (0.50) ALDH1A1TDP1HPRT1RAB9APOLB
SCHEMBL1556277 0.85 ALDH1A1 (0.53) ALDH1A1TDP1HPRT1RAB9APOLB
SCHEMBL27475137 0.84 HPRT1 (0.50) ALDH1A1TDP1HPRT1RAB9APOLB
SCHEMBL8863198 0.84 ALDH1A1 (0.44) ALDH1A1TDP1HPRT1RAB9APOLB
SCHEMBL3700629 0.84 MEN1 (0.47) ALDH1A1TDP1RAB9APOLBLMNA
SCHEMBL29209663 0.83 ALDH1A1 (0.51) ALDH1A1TDP1RAB9APOLBLMNA
SCHEMBL27832802 0.79 MEN1 (0.53) ALDH1A1TDP1POLBLMNAMEN1

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
US-5556730-A Charge injection barrier for positive charging organic photoconductor HEWLETT-PACKARD COMPANY (US) 1996-09-17 US disclosed
US-5476604-A Crosslinked binder of polyvinyl alcohol HEWLETT-PACKARD COMPANY (US) 1995-12-19 US disclosed
EP-0667562-A2 Charge injection barrier for positive charging organic photoconductor Hewlett-Packard Company (US) 1995-08-16 EP disclosed