SCHEMBL2154099

SCHEMBL2154099

COc1ccc(Cc2[c]ccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
KCNJ1 P48048 1/20 0.48
KCNH2 Q12809 1/20 0.48
NFE2L2 Q16236 1/20 0.44
HTT P42858 2/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP19A1 P11511 2/20 0.43
LMNA P02545 2/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
CNR2 P34972 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL10939808 0.81 IDO1 (0.47) KMT2AMAPTMEN1HTTMAPK1
SCHEMBL3722491 0.81 RIPK1 (0.45) KMT2AMAPTMEN1CRHBPCRHR2
SCHEMBL11286333 0.80 TSHR (0.45) MAPK1ALDH1A1CYP19A1LMNATDP1
SCHEMBL5146747 0.79 XDH (0.43) KMT2AMAPTMEN1NFE2L2HTT
SCHEMBL4600239 0.77 KMT2A (0.60) KMT2AMAPTMEN1CRHBPCRHR2
SCHEMBL14880488 0.77 KCNJ1 (0.63) KMT2AMAPTMEN1CRHBPCRHR2
SCHEMBL28131042 0.77 NFE2L2 (0.58) KMT2AMAPTMEN1CRHBPCRHR2
SCHEMBL11742163 0.76 HTT (0.40) KMT2AMEN1HTTALDH1A1LMNA
SCHEMBL27767688 0.76 LTA4H (0.46) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL9476182 0.75 APP (0.50) KMT2AMAPTMEN1CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513064-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-10-24 EP claimed
WO-2011080132-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-07-07 WO claimed
EP-0093376-B2 1-Sulfo-2-azetidinone derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-04-07 EP disclosed
EP-0093376-B1 1-SULFO-2-AZETIDINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-03-21 EP disclosed
US-4675397-A MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-06-23 US disclosed
US-4673739-A BETA-LACTAMASE INHIBITOR, MICROBIOCIDE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-06-16 US disclosed
US-4572801-A LACTAMASE ENZYME INHIBITORS, MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-02-25 US disclosed
EP-0093376-A2 1-Sulfo-2-azetidinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-11-09 EP disclosed