SCHEMBL4763744

SCHEMBL4763744

O=C(O)c1ccc(-c2cccnc2)c([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
CYP19A1 P11511 3/20 0.43
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
CYP2A6 P11509 1/20 0.43
KMO O15229 2/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA5 P30532 2/20 0.40
CHRNA4 P43681 2/20 0.40
LMNA P02545 2/20 0.39
DHODH Q02127 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APP P05067 1/20 0.38
GAA P10253 1/20 0.38
HCAR3 P49019 1/20 0.38
HCAR2 Q8TDS4 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
SCHEMBL28879706 0.86 MYC (0.44) ALDH1A1L3MBTL1
SCHEMBL11669542 0.75 TDP1 (0.47) KDM4EALDH1A1L3MBTL1
SCHEMBL27845475 0.75 KMO (0.53) MKNK1MKNK2CYP2A6KMOLMNA
SCHEMBL27468806 0.74 GPR35 (0.49) MKNK1MKNK2CYP2A6KMOLMNA
SCHEMBL28879736 0.73 TDP1 (0.47) LMNAHTTALDH1A1L3MBTL1
SCHEMBL9274355 0.73 MEN1 (0.41) MKNK1MKNK2CYP2A6KMOLMNA
SCHEMBL11385857 0.73 GPR35 (0.49) CYP19A1CYP11B1CYP11B2CYP2A6KMO
SCHEMBL28526469 0.72 DHODH (0.55) MKNK1MKNK2CYP19A1CYP11B1CYP11B2
SCHEMBL6609445 0.71 ALDH1A1 (0.53) CYP19A1CYP11B1CYP11B2CYP2A6CHRNB2
SCHEMBL28558289 0.71 MKNK1 (0.50) MKNK1MKNK2CYP19A1CYP2A6KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060246596-A1 Reagent delivery device and method INDUSTRIAL TEST SYSTEMS, INC. 2006-11-02 US claimed
US-9400284-B2 Method of detecting a risk of cancer DIVINITY GROUP, INC. 2016-07-26 US disclosed
EP-1725864-B1 PHOTOMETRIC ANALYSIS IND TEST SYSTEMS INC (US) 2013-01-09 EP disclosed
EP-1725864-A4 PHOTOMATRIC ANALYSIS IND TEST SYSTEMS INC (US) 2008-03-19 EP disclosed
US-7333194-B2 Photometric analysis INDUSTRIAL TEST SYSTEMS, INC. (US) 2008-02-19 US disclosed
CN-101057130-A Photometric analysis IND TEST SYSTEMS INC (US) 2007-10-17 CN disclosed
EP-1725864-A2 PHOTOMATRIC ANALYSIS Industrial Test Systems, Inc. (US) 2006-11-29 EP disclosed
US-20060246596-A1 Reagent delivery device and method INDUSTRIAL TEST SYSTEMS, INC. 2006-11-02 US disclosed
WO-2006036738-A2 PHOTOMETRIC ANALYSIS INDUSTRIAL TEST SYSTEMS, INC. (US) 2006-04-06 WO disclosed
US-20060066858-A1 Photometric analysis INDUSTRIAL TEST SYSTEMS, INC. 2006-03-30 US disclosed