SCHEMBL5266469

SCHEMBL5266469

O=C(COc1ccccc1)Nc1c[nH]nc1C(=O)NCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 2/20 0.53
PTPN1 P18031 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
RAB9A P51151 5/20 0.48
NPC1 O15118 5/20 0.48
ALDH1A1 P00352 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
HPGD P15428 2/20 0.47
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.46
GBA1 P04062 1/20 0.46
SGMS1 Q86VZ5 1/20 0.46

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
SCHEMBL5270571 0.88 KMT2A (0.59) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL5266006 0.87 RAB9A (0.51) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL5269503 0.85 RAB9A (0.61) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL5268958 0.83 RAB9A (0.52) SMN1; SMN2MAPTKMT2AMEN1RAB9A
SCHEMBL5266786 0.82 MEN1 (0.54) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL5270533 0.82 MEN1 (0.47) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL5267582 0.82 LMNA (0.56) SMN1; SMN2LMNAKMT2AMEN1RAB9A
SCHEMBL5267166 0.82 NPC1 (0.52) SMN1; SMN2LMNARAB9ANPC1ALDH1A1
SCHEMBL4281575 0.82 RAB9A (0.48) SMN1; SMN2MAPTKMT2AMEN1RAB9A
SCHEMBL13816928 0.81 RAB9A (0.54) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1

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