SCHEMBL4733997

SCHEMBL4733997

O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 1.00
ALDH1A1 P00352 7/20 1.00
MEN1 O00255 6/20 1.00
HTT P42858 3/20 1.00
MAPT P10636 3/20 1.00
LMNA P02545 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
CNR1 P21554 1/20 0.64
HSP90AA1 P07900 1/20 0.62
XBP1 P17861 1/20 0.62
ALOX12 P18054 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
GLA P06280 1/20 0.62
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
KDM4E B2RXH2 1/20 0.60

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
SCHEMBL10750131 0.86 MEN1 (0.83) KMT2AALDH1A1MEN1HTTMAPT
SCHEMBL27841700 0.85 MEN1 (0.74) KMT2AALDH1A1MEN1HTTMAPT
SCHEMBL4628679 0.83 KMT2A (0.71) KMT2AALDH1A1MEN1HTTMAPT
SCHEMBL18416955 0.83 MEN1 (0.71) KMT2AALDH1A1MEN1HTTMAPT
SCHEMBL5657581 0.82 MEN1 (0.70) KMT2AALDH1A1MEN1HTTMAPT
SCHEMBL5184989 0.82 ALDH1A1 (0.69) KMT2AALDH1A1MEN1HTTMAPT
SCHEMBL18825691 0.81 MEN1 (0.82) KMT2AALDH1A1MEN1HTTMAPT
SCHEMBL31275174 0.80 CNR1 (0.76) KMT2AALDH1A1MEN1HTTMAPT
SCHEMBL31675013 0.80 LMNA (0.80) KMT2AALDH1A1MEN1HTTMAPT
SCHEMBL9830210 0.80 KMT2A (0.73) KMT2AALDH1A1MEN1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008070934-A1 INHIBITION OF INVERTEBRATES USING LIGANDS THAT MODULATE ECDYSONE RECEPTORS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2008-06-19 WO disclosed
WO-2008070891-A1 LIGANDS FOR THE MODULATION OF ECDYSONE RECEPTORS AND CONTROL OF INSECT GROWTH COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2008-06-19 WO disclosed