SCHEMBL5274237

SCHEMBL5274237

O=C(NCCc1ccccc1)c1n[nH]cc1NC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 1/20 0.48
CNR1 P21554 3/20 0.48
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.43
CNR2 P34972 2/20 0.43
HTT P42858 1/20 0.43
TACR1 P25103 1/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL5274499 0.88 KMT2A (0.46) SMN1; SMN2ALDH1A1CNR1TSHRPOLB
SCHEMBL5268958 0.83 RAB9A (0.52) RAB9ASMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL5266006 0.82 RAB9A (0.51) RAB9ASMN1; SMN2ALDH1A1NPC1POLB
SCHEMBL5268199 0.81 POLB (0.56) SMN1; SMN2ALDH1A1POLBMEN1GAA
SCHEMBL5266828 0.81 KMT2A (0.48) SMN1; SMN2ALDH1A1POLBHTTMEN1
SCHEMBL13816928 0.81 RAB9A (0.54) RAB9ASMN1; SMN2ALDH1A1NPC1TSHR
SCHEMBL5272554 0.80 KMT2A (0.47) SMN1; SMN2ALDH1A1POLBHTTMEN1
SCHEMBL5266469 0.80 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL4281575 0.80 RAB9A (0.48) RAB9ASMN1; SMN2ALDH1A1NPC1HTT
SCHEMBL5269503 0.79 RAB9A (0.61) RAB9ASMN1; SMN2ALDH1A1NPC1POLB

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