SCHEMBL2948263

SCHEMBL2948263

C=CCc1c2ccccc2nc2ccc(N)c([N+](=O)[O-])c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
GLA P06280 3/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
USP2 O75604 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
DHFR P00374 1/20 0.36
IMPDH2 P12268 1/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 3/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.34
CHRM2 P08172 2/20 0.34

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
SCHEMBL11133807 0.86 KMT2A (0.36) KMT2AMEN1MAPTKDM4EGLA
SCHEMBL8599452 0.81 MAPT (0.43) KMT2AMEN1MAPTMAPK1TDP1
SCHEMBL8601130 0.76 KDM4E (0.38) KMT2AMEN1MAPTKDM4EGLA
SCHEMBL8598680 0.74 MAPT (0.38) KMT2AMEN1MAPTKDM4EGLA
SCHEMBL19952852 0.73 IMPDH2 (0.41) KMT2AMEN1MAPTTDP1HTT
SCHEMBL9273537 0.72 KDM4E (0.52) KMT2AMEN1MAPTKDM4EGLA
SCHEMBL8601044 0.69 MAPT (0.40) KMT2AMEN1MAPTKDM4EGLA
SCHEMBL8603033 0.68 CYP1A2 (0.47) KMT2AMEN1MAPTMAPK1TDP1
SCHEMBL20291524 0.68 CYP3A4 (0.61) KMT2AMEN1MAPTKDM4EGLA
SCHEMBL8567950 0.67 CYP3A4 (0.47) KMT2AMEN1MAPTKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257538-B1 9-ALKYLAMINO-1-NITROACRIDINE DERIVATIVES NEW YORK MEDICAL COLLEGE (US) 2010-09-08 EP claimed