SCHEMBL5226510

SCHEMBL5226510

COc1ccc(N(C(=O)O)c2nc3cc([N+](=O)[O-])ccc3n2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
LMNA P02545 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 8/20 0.45
NPC1 O15118 5/20 0.45
MEN1 O00255 5/20 0.45
RAB9A P51151 4/20 0.45
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
ALDH1A1 P00352 8/20 0.43
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
GAA P10253 3/20 0.42
MAPK1 P28482 2/20 0.42
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.40

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 0.88 KMT2A (0.44) MAPTLMNASMN1; SMN2KMT2ANPC1
SCHEMBL5229049 0.88 KMT2A (0.44) MAPTLMNASMN1; SMN2KMT2ANPC1
SCHEMBL5225943 0.88 ALDH1A1 (0.49) MAPTLMNASMN1; SMN2KMT2ANPC1
SCHEMBL5225949 0.88 ALDH1A1 (0.49) MAPTLMNASMN1; SMN2KMT2ANPC1
SCHEMBL4978620 0.87 MAPT (0.50) MAPTLMNASMN1; SMN2KMT2ANPC1
SCHEMBL5222469 0.83 ALDH1A1 (0.44) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4976760 0.78 ALDH1A1 (0.44) MAPTLMNASMN1; SMN2KMT2ANPC1
SCHEMBL4978503 0.77 KMT2A (0.42) MAPTLMNASMN1; SMN2KMT2ANPC1
SCHEMBL4978681 0.76 MAPT (0.41) MAPTLMNASMN1; SMN2KMT2ANPC1
SCHEMBL5223908 0.76 ALDH1A1 (0.44) MAPTLMNASMN1; SMN2KMT2ANPC1

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