SCHEMBL4849341

SCHEMBL4849341

O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.47
TSHR P16473 4/20 0.45
CASP6 P55212 1/20 0.44
GPR35 Q9HC97 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.39
AKR1B1 P15121 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
CDC25B P30305 1/20 0.38
MAPT P10636 3/20 0.38
HCAR3 P49019 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL22070445 0.85 DTYMK (0.50) DTYMKTSHRCASP6TDP1ALDH1A1
SCHEMBL304470 0.85 CASP6 (0.55) DTYMKTSHRCASP6GPR35TDP1
SCHEMBL4960492 0.84 ALDH1A1 (0.42) DTYMKTSHRTDP1ALDH1A1CYP3A4
SCHEMBL18306112 0.84 ALDH1A1 (0.42) DTYMKTSHRTDP1ALDH1A1CYP3A4
SCHEMBL27501298 0.83 CASP6 (0.53) DTYMKTSHRCASP6GPR35TDP1
SCHEMBL25294147 0.81 ALDH1A1 (0.40) DTYMKTSHRGPR35TDP1ALDH1A1
SCHEMBL4962136 0.81 ALDH1A1 (0.56) TSHRTDP1ALDH1A1CYP3A4ALOX15
SCHEMBL16077595 0.81 DTYMK (0.46) DTYMKTSHRCASP6TDP1ALDH1A1
SCHEMBL17688824 0.81 ALDH1A1 (0.46) TSHRTDP1ALDH1A1CYP3A4ALOX15
SCHEMBL3342909 0.81 ALDH1A1 (0.41) TSHRTDP1ALDH1A1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371866-B2 Preparation of aromatic and heteroaromatic carboxylic acids by catalytic ozonolysis DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2008-05-13 US disclosed
WO-2005063385-A1 METHOD FOR OXIDIZING SATURATED HYDROCARBONS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2005-07-14 WO disclosed
US-20030216577-A1 Preparation of aromatic and heteroaromatic carboxylic acids by catalytic ozonolysis DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2003-11-20 US disclosed
EP-1362840-A1 Process for the preparation of aromatic and heteroaromatic carboxylic acids via catalytic ozonolysis DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2003-11-19 EP disclosed