SCHEMBL4490770

SCHEMBL4490770

Cc1ccc(-c2ccc3c(NC(=O)NCCCN4CCCC4=O)n[nH]c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
RAB9A P51151 5/20 0.53
NPC1 O15118 2/20 0.53
GSK3B P49841 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL4490101 0.92 KMT2A (0.52) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4491049 0.91 SMN1; SMN2 (0.64) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12886394 0.89 HDAC6 (0.50) KMT2ARAB9ANPC1GSK3BSMN1; SMN2
SCHEMBL4490556 0.87 GSK3B (0.54) KMT2ARAB9ANPC1GSK3BSMN1; SMN2
SCHEMBL4481521 0.87 NPC1 (0.56) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4491703 0.84 ALDH1A1 (0.55) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12886382 0.82 AAK1 (0.58) KMT2AGSK3B
SCHEMBL4491062 0.82 GSK3B (0.55) KMT2AGSK3BMEN1
SCHEMBL4492112 0.81 GSK3B (0.61) GSK3BCYP1A2
SCHEMBL4480331 0.81 GSK3B (0.61) GSK3BCYP1A2

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
US-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 US claimed