SCHEMBL8893136

SCHEMBL8893136

Cc1nc(C#N)c(SCC(=O)NCC(C)C)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.45
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 4/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PTBP1 P26599 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 3/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL8899495 0.78 POLB (0.41) SMN1; SMN2KDM4EALDH1A1MAPTMEN1
SCHEMBL8893140 0.68 MAPT (0.34) HPGDSMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL8899509 0.66 GAA (0.33) SMN1; SMN2MAPTGAANPSR1
SCHEMBL8890049 0.65 GAA (0.41) HPGDSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL8890215 0.64 MAPT (0.35) HPGDKDM4ELMNAALDH1A1MAPT
SCHEMBL12425622 0.61 HPGD (0.51) HPGDUSP2SMN1; SMN2KDM4ELMNA
SCHEMBL5154526 0.61
SCHEMBL31582281 0.60 POLB (0.72) HPGDSMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL24778821 0.59 HPGD (0.50) HPGDUSP2SMN1; SMN2KDM4ELMNA
SCHEMBL615361 0.59 MCL1 (0.59) HPGDUSP2SMN1; SMN2KDM4ELMNA

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
WO-1997024340-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-10 WO disclosed