SCHEMBL5266785

SCHEMBL5266785

COc1ccc(C(=O)Nc2c[nH]nc2C(=O)NC(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.54
GAA P10253 4/20 0.49
TP53 P04637 3/20 0.49
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALOX15 P16050 1/20 0.49
GPR35 Q9HC97 1/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48

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
SCHEMBL5270615 0.87 PLK1 (0.58) F10GAATP53NPC1RAB9A
SCHEMBL5271746 0.86 ALDH1A1 (0.50) F10TP53NPC1RAB9AKMT2A
SCHEMBL5273573 0.85 TRPV1 (0.49) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5267481 0.85 MDM4 (0.49) GAATP53NPC1RAB9ASMN1; SMN2
SCHEMBL5273753 0.84 MLYCD (0.49) GPR35KMT2AHDAC4KDM4EMAPT
SCHEMBL5266131 0.84 LMNA (0.50) GAANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5272675 0.82 RAB9A (0.60) F10GAATP53NPC1RAB9A
SCHEMBL5266584 0.82 RAB9A (0.54) F10NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5265957 0.81 HPGD (0.56) F10GAARAB9ASMN1; SMN2ALOX15
SCHEMBL5269927 0.79 LMNA (0.49) GAATP53SMN1; SMN2ALOX15KMT2A

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-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP disclosed