SCHEMBL5268734

SCHEMBL5268734

CNC(=O)c1n[nH]cc1NC(=O)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
POLB P06746 2/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
ROCK2 O75116 1/20 0.46
KDM6B O15054 1/20 0.46
KDM4D Q6B0I6 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
EGLN3 Q9H6Z9 1/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45

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
SCHEMBL5269224 0.88 KDM4E (0.49) KDM4EPOLBRAB9ASMN1; SMN2NPC1
SCHEMBL5272569 0.88 MAPT (0.58) KDM4EPOLBRAB9ASMN1; SMN2NPC1
SCHEMBL5266006 0.86 RAB9A (0.51) KDM4EPOLBRAB9ASMN1; SMN2NPC1
SCHEMBL5267185 0.86 POLB (0.48) KDM4EPOLBRAB9ASMN1; SMN2NPC1
SCHEMBL5269702 0.82 EPHX2 (0.49) KDM4EPOLBRAB9ASMN1; SMN2NPC1
SCHEMBL5267166 0.81 NPC1 (0.52) KDM4ERAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5271648 0.81 KMT2A (0.54) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL5265275 0.79 ALDH1A1 (0.54) KDM4EPOLBRAB9ASMN1; SMN2MAPT
SCHEMBL5267112 0.79 NPC1 (0.48) KDM4EPOLBRAB9ASMN1; SMN2NPC1
SCHEMBL2801325 0.76 ALOX15 (0.48) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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