SCHEMBL8813201

SCHEMBL8813201

CCCNc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.55
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
PKM P14618 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
POLB P06746 1/20 0.46
KAT2B Q92831 5/20 0.43
NPSR1 Q6W5P4 2/20 0.42
NSD2 O96028 1/20 0.42
KMT2A Q03164 1/20 0.42
GSTM2 P28161 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL8979378 0.88 HCAR3 (0.56) HCAR3MAPTALDH1A1PKMPOLB
SCHEMBL8812811 0.85 KAT2B (0.50) HCAR3MAPTALDH1A1PKMRAB9A
SCHEMBL6853076 0.85 GSTM2 (0.55) HCAR3MAPTPKMPOLBKAT2B
SCHEMBL8353533 0.79 MAPT (0.47) HCAR3MAPTALDH1A1PKMRAB9A
SCHEMBL7061507 0.78 GSTM2 (0.43) HCAR3MAPTALDH1A1PKMRAB9A
SCHEMBL1557360 0.77 HCAR3 (0.49) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL4077151 0.76 KAT2B (0.66) HCAR3MAPTALDH1A1PKMRAB9A
SCHEMBL3636228 0.75 KAT2B (0.69) HCAR3MAPTALDH1A1PKMRAB9A
SCHEMBL11552885 0.75 HCAR3 (0.54) HCAR3MAPTALDH1A1PKMRAB9A
SCHEMBL10249409 0.75 KAT2B (0.71) HCAR3MAPTALDH1A1PKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0400989-B1 Method for spectroscopic analysis of hydrocarbons, method for chromatographic analysis of hydrocarbons and hydrocarbon refining operation using these methods EXXON RESEARCH ENGINEERING CO (US) 1997-04-02 EP claimed
US-5076909-A Analyzing for aromatics by ultraviolet radiation EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-12-31 US claimed
US-4988446-A QUANTITATIVE ANALYSIS BY CHROMATOGRAPHY OF HYDROCARBON OILS, UV RADIATION EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-01-29 US claimed
EP-0400989-A2 Method for spectroscopic analysis of hydrocarbons, method for chromatographic analysis of hydrocarbons and hydrocarbon refining operation using these methods EXXON RESEARCH AND ENGINEERING COMPANY (US) 1990-12-05 EP claimed
EP-0400989-B1 Method for spectroscopic analysis of hydrocarbons, method for chromatographic analysis of hydrocarbons and hydrocarbon refining operation using these methods EXXON RESEARCH ENGINEERING CO (US) 1997-04-02 EP disclosed
EP-0342869-B1 Chromatographic analysis of hydrocarbon oil EXXON RESEARCH ENGINEERING CO (US) 1996-09-11 EP disclosed
US-5076909-A Analyzing for aromatics by ultraviolet radiation EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-12-31 US disclosed
US-4988446-A QUANTITATIVE ANALYSIS BY CHROMATOGRAPHY OF HYDROCARBON OILS, UV RADIATION EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-01-29 US disclosed
EP-0400989-A2 Method for spectroscopic analysis of hydrocarbons, method for chromatographic analysis of hydrocarbons and hydrocarbon refining operation using these methods EXXON RESEARCH AND ENGINEERING COMPANY (US) 1990-12-05 EP disclosed
EP-0342869-A1 Chromatographic analysis of hydrocarbon oil EXXON RESEARCH AND ENGINEERING COMPANY (US) 1989-11-23 EP disclosed
US-4865746-A ELUTION WITH WEAK SOLVENTS, STRONG SOLVENTS, HYDROGEN BONDING SOLVENTS; DETECTING AND MONITORING LEVELS OF AROMATIC AND SATURATED HYDROCARBONS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1989-09-12 US disclosed