SCHEMBL4490101

SCHEMBL4490101

Cc1cccc(-c2ccc3c(NC(=O)NCCCN4CCCC4=O)n[nH]c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
TYRO3 Q06418 1/20 0.44
ATM Q13315 1/20 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
SCHEMBL4490770 0.92 KMT2A (0.54) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4481521 0.90 NPC1 (0.56) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL12886394 0.88 HDAC6 (0.50) KMT2ARAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL4491049 0.87 SMN1; SMN2 (0.64) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4490556 0.85 GSK3B (0.54) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL12886382 0.85 AAK1 (0.58) KMT2A
SCHEMBL4491703 0.84 ALDH1A1 (0.55) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4490154 0.83 MEN1 (0.50) KMT2AMEN1
SCHEMBL4498152 0.82 GSK3B (0.52) CYP1A2
SCHEMBL4502574 0.82 GSK3B (0.57) CYP1A2

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