SCHEMBL9650898

SCHEMBL9650898

COc1ccc(NCc2ccc([N+](=O)[O-])cc2)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.63
MEN1 O00255 6/20 0.63
PABPC1 P11940 2/20 0.63
POLB P06746 1/20 0.63
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
PTPRF P10586 1/20 0.54
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
PTPN11 Q06124 1/20 0.54
HDAC1 Q13547 1/20 0.51
MAPT P10636 6/20 0.50
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL4250052 0.79 KMT2A (0.59) KMT2AMEN1PABPC1POLBRAB9A
SCHEMBL4953680 0.78 PTPRF (0.83) KMT2AMEN1PTPRFPTPN2PTPN1
SCHEMBL28495692 0.77 ALDH1A1 (0.62) KMT2AMEN1PABPC1POLBRAB9A
SCHEMBL1846278 0.77 HDAC1 (0.51) KMT2AMEN1RAB9ANPC1HDAC1
SCHEMBL30850667 0.76 KMT2A (0.70) KMT2AMEN1PABPC1POLBRAB9A
SCHEMBL1851173 0.76 KMT2A (0.70) KMT2AMEN1PABPC1POLBRAB9A
SCHEMBL18600198 0.74 PTPRF (0.71) KMT2AMEN1POLBPTPRFPTPN2
SCHEMBL12047913 0.74 PTPRF (0.71) KMT2AMEN1POLBPTPRFPTPN2
SCHEMBL3086465 0.74 MEN1 (0.59) KMT2AMEN1PABPC1POLBMAPT
SCHEMBL22783774 0.74 PTPRF (0.75) KMT2AMEN1PTPRFPTPN2PTPN1

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
US-5153199-A Pyridyl cyclopropane amide derivates for treating infections of plants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-06 US disclosed
EP-0434357-A2 Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-26 EP disclosed