SCHEMBL5265463

SCHEMBL5265463

O=C(NCCc1ccccc1)c1n[nH]cc1NC(=O)c1c[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 1/20 0.50
SIRT1 Q96EB6 1/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
IGF1R P08069 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 1/20 0.47
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 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
SCHEMBL5272692 0.85 SIRT1 (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2SIRT1
SCHEMBL5266990 0.82 CFTR (0.60) RAB9ANPC1MEN1KMT2A
SCHEMBL5268958 0.82 RAB9A (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL5266006 0.79 RAB9A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL5265736 0.78 RAB9A (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL4281575 0.78 RAB9A (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL5265256 0.78 RAB9A (0.57) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL13816928 0.77 RAB9A (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4292338 0.77 SIRT1 (0.60) RAB9ANPC1SMN1; SMN2POLBSIRT1
SCHEMBL5266786 0.77 MEN1 (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2POLB

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