SCHEMBL5223908

SCHEMBL5223908

Cn1c(N(C(=O)O)c2ccccc2C(C)(C)C)nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
KMT2A Q03164 7/20 0.44
LMNA P02545 6/20 0.44
MAPT P10636 4/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
APOBEC3A P31941 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
PKM P14618 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 4/20 0.41
CYP19A1 P11511 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP2D6 P10635 1/20 0.39

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
SCHEMBL5225943 0.84 ALDH1A1 (0.49) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL5225949 0.84 ALDH1A1 (0.49) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL5229039 0.78 KMT2A (0.44) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL5229049 0.78 KMT2A (0.44) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL4976760 0.78 ALDH1A1 (0.44) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL5226510 0.76 MAPT (0.54) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL5225363 0.74 RAF1 (0.39) MAPTKDM4ENPC1RAB9A
SCHEMBL5223899 0.74 ALDH1A1 (0.45) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL5223905 0.73 RAB9A (0.48) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL4978681 0.73 MAPT (0.41) ALDH1A1KMT2ALMNAMAPTHTT

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