SCHEMBL4740107

SCHEMBL4740107

CC(=O)Nc1ccc2cn(Cc3ccc(C(=O)O)cc3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HTT P42858 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
TNNC1 P63316 1/20 0.47
RUNX1 Q01196 1/20 0.47
CBFB Q13951 1/20 0.47
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
HSD17B10 Q99714 1/20 0.42
NOTUM Q6P988 1/20 0.42

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
SCHEMBL4737116 0.89 MAPT (0.50) MEN1KMT2AHTTPTGDR2NPC1
SCHEMBL3550162 0.82 HDAC2 (0.54) MEN1KMT2AHTTPTGDR2
SCHEMBL6840365 0.77 KDM5A (0.47) NPC1RAB9AHSD17B10
SCHEMBL25402995 0.76 SMN1; SMN2 (0.48) MEN1KMT2APTGDR2SMN1; SMN2HSD17B10
SCHEMBL4740073 0.75 PDGFRB (0.49) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL30585029 0.74 PTGER4 (0.46)
SCHEMBL3556891 0.73 HDAC2 (0.61) MEN1KMT2AHTT
SCHEMBL19538829 0.73 MAPT (0.61) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5767415 0.72 P2RX7 (0.48) MEN1KMT2APTGDR2RAB9AMAPT
SCHEMBL23632217 0.72 AGTR1 (0.50) NPC1RAB9ASMN1; SMN2HSD17B10

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
WO-2008089436-A2 CRYSTALLINE FORMS OF HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-07-24 WO disclosed
WO-2008089436-A2 CRYSTALLINE FORMS OF HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-07-24 WO disclosed