SCHEMBL11835233

SCHEMBL11835233

CCNC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.76
MEN1 O00255 5/20 0.76
MAPT P10636 5/20 0.76
NPC1 O15118 3/20 0.76
MAPK1 P28482 3/20 0.76
RAB9A P51151 2/20 0.76
NPSR1 Q6W5P4 1/20 0.76
MYOC Q99972 1/20 0.76
POLB P06746 4/20 0.63
MTNR1B P49286 1/20 0.59
HTT P42858 1/20 0.58
F13A1 P00488 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
ALDH1A1 P00352 4/20 0.54
MMP2 P08253 1/20 0.54
MMP8 P22894 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54

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
SCHEMBL10804640 0.91 POLB (0.74) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL11832841 0.89 KMT2A (0.72) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL11829587 0.87 KMT2A (0.68) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL11004478 0.87 MEN1 (1.00) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL11831621 0.86 MEN1 (0.72) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL11832995 0.86 MEN1 (0.76) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL4785959 0.86 KMT2A (0.67) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL11841105 0.85 MAPT (0.65) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL11830737 0.84 MEN1 (0.82) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL11839996 0.84 MEN1 (0.72) KMT2AMEN1MAPTNPC1MAPK1

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
US-3933814-A ANTIPROTOZOA, ANTICOCCIDIOSIS BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 US disclosed