SCHEMBL5223905

SCHEMBL5223905

Cn1c(-c2c(NC(=O)O)cccc2C(C)(C)C)nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
KMT2A Q03164 7/20 0.44
MEN1 O00255 5/20 0.44
HTT P42858 2/20 0.44
PPARG P37231 1/20 0.43
ALDH1A1 P00352 7/20 0.42
PKM P14618 4/20 0.42
LMNA P02545 4/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
APOBEC3A P31941 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
HPGD P15428 1/20 0.41
PIN1 Q13526 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK14 Q16539 1/20 0.38

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
SCHEMBL5225953 0.81 RAB9A (0.50) RAB9ANPC1KMT2AMEN1HTT
SCHEMBL5225357 0.75 NPC1 (0.40) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL5223908 0.73 ALDH1A1 (0.44) RAB9ANPC1KMT2AMEN1HTT
SCHEMBL10986929 0.72 ALDH1A1 (0.71) RAB9ANPC1KMT2AMEN1HTT
SCHEMBL20982763 0.71 ALDH1A1 (0.72) RAB9ANPC1KMT2AMEN1HTT
SCHEMBL5223899 0.69 ALDH1A1 (0.45) RAB9ANPC1KMT2AMEN1HTT
SCHEMBL588563 0.68 RAB9A (0.62) RAB9ANPC1KMT2AMEN1HTT
SCHEMBL4981850 0.68 ALDH1A1 (0.51) RAB9ANPC1KMT2AMEN1HTT
Ammonia Solution, Strong SCHEMBL20358007 0.67 RAB9A (0.60) RAB9ANPC1KMT2AMEN1HTT
SCHEMBL20982760 0.67 ALDH1A1 (0.69) RAB9ANPC1KMT2AMEN1HTT

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