SCHEMBL5229049

SCHEMBL5229049

Cc1ccc(N(C(=O)O)c2nc3cc([N+](=O)[O-])ccc3n2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 7/20 0.43
LMNA P02545 6/20 0.43
PKM P14618 3/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
APOBEC3A P31941 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
CYP2D6 P10635 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NFKB1 P19838 1/20 0.42
CASP3 P42574 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SENP8 Q96LD8 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
SCHEMBL5229039 1.00 KMT2A (0.44) KMT2AMEN1ALDH1A1LMNAPKM
SCHEMBL5225949 0.91 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1LMNAPKM
SCHEMBL5225943 0.91 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1LMNAPKM
SCHEMBL5226510 0.88 MAPT (0.54) KMT2AMEN1ALDH1A1LMNAPKM
SCHEMBL4978503 0.86 KMT2A (0.42) KMT2AMEN1ALDH1A1LMNAPKM
SCHEMBL5230034 0.81 NPC1 (0.40) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL5223908 0.78 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1LMNAPKM
SCHEMBL4976760 0.78 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1LMNAPKM
SCHEMBL4978681 0.77 MAPT (0.41) KMT2AMEN1ALDH1A1LMNAPKM
SCHEMBL4978620 0.76 MAPT (0.50) KMT2AMEN1ALDH1A1LMNAPKM

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-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP disclosed