SCHEMBL3129647

SCHEMBL3129647

Cc1oc(CCC(N)=O)nc1C(=O)NCC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.38
SLC40A1 Q9NP59 1/20 0.34
APEX1 P27695 1/20 0.34
EGLN1 Q9GZT9 3/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
KLF5 Q13887 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGDS O60760 1/20 0.31
FBP1 P09467 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3121517 0.85 NR4A2 (0.40) NR4A2SLC40A1RAB9ATP53KLF5
SCHEMBL13689202 0.82 APEX1 (0.33) SLC40A1APEX1EGLN1RAB9ASMN1; SMN2
SCHEMBL3131699 0.82 NR4A2 (0.43) NR4A2RAB9ATP53KLF5SMN1; SMN2
SCHEMBL3129635 0.74 NR4A2 (0.38) NR4A2RAB9ATP53KLF5SMN1; SMN2
SCHEMBL568902 0.73 C3AR1 (0.36) APEX1EGLN1RAB9ASMN1; SMN2HPGDS
SCHEMBL24158855 0.63 NR4A2 (0.40) NR4A2RAB9ATP53KLF5SMN1; SMN2
SCHEMBL15296578 0.63 EGLN1 (0.35) EGLN1RAB9ASMN1; SMN2HPGDSALDH1A1
SCHEMBL15296576 0.63 EGLN1 (0.35) EGLN1HPGDSALDH1A1
SCHEMBL8340106 0.62 RAB9A (0.73) RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL19545598 0.62 ALPG (0.55) APEX1RAB9ATP53SMN1; SMN2ALDH1A1

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-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed