SCHEMBL5226459

SCHEMBL5226459

Cn1c(Nc2cc(C(C)(C)C)on2)nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 6/20 0.43
PKM P14618 3/20 0.43
LMNA P02545 3/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 5/20 0.41
KDM4E B2RXH2 1/20 0.41
APOBEC3A P31941 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4981793 0.78 CSNK1D (0.56) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4981850 0.77 ALDH1A1 (0.51) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL209281 0.75 ALDH1A1 (0.54) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL4976756 0.75 HDAC6 (0.57) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL4976545 0.74 NPC1 (0.50) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5224395 0.74 KMT2A (0.40) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4978405 0.73 SMN1; SMN2 (0.50) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4977099 0.72 ALDH1A1 (0.54) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL14263307 0.72 KMT2A (0.38) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4978799 0.71 NPC1 (0.60) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP disclosed