SCHEMBL4485926

SCHEMBL4485926

COc1ccc(-c2ccc3c(NC(=O)N4CCC(Cc5ccccc5)CC4)n[nH]c3c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
GSK3B P49841 3/20 0.52
GSK3A P49840 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CCR3 P51677 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
FGFR4 P22455 1/20 0.50
ACHE P22303 1/20 0.49
NPC1 O15118 1/20 0.49
FAAH O00519 2/20 0.48
ACP1 P24666 1/20 0.48
MGLL Q99685 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4480993 0.93 HDAC1 (0.59) MEN1KMT2ASMN1; SMN2GSK3BGSK3A
SCHEMBL4487348 0.85 HDAC6 (0.58) GSK3BGSK3AHDAC6HDAC1HDAC2
SCHEMBL4484349 0.85 HDAC6 (0.58) GSK3BGSK3AHDAC6HDAC1HDAC2
SCHEMBL4479967 0.84 GSK3B (0.60) MEN1KMT2ASMN1; SMN2GSK3BGSK3A
SCHEMBL4482513 0.83 HDAC6 (0.60) GSK3BGSK3AHDAC6HDAC1HDAC2
SCHEMBL4483361 0.83 HDAC6 (0.62) SMN1; SMN2GSK3BGSK3AHDAC6HDAC1
SCHEMBL4494882 0.82 HDAC6 (0.61) SMN1; SMN2GSK3BGSK3AHDAC6HDAC1
SCHEMBL4489355 0.81 HDAC6 (0.60) GSK3BGSK3AHDAC6HDAC1HDAC2
SCHEMBL4491320 0.81 HDAC6 (0.59) GSK3BGSK3AHDAC6HDAC1HDAC2
SCHEMBL4487834 0.80 CYP1A2 (0.54) KMT2ASMN1; SMN2GSK3AHDAC6HDAC1

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