SCHEMBL5810835

SCHEMBL5810835

Cc1nc(-c2ccccc2)nc(NCC(N)=O)c1C#N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.61
PDE4D Q08499 4/20 0.61
PDE10A Q9Y233 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ADORA2A P29274 3/20 0.48
ADORA1 P30542 3/20 0.48
ALDH1A1 P00352 6/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
PRKCI P41743 1/20 0.43
KDM4E B2RXH2 4/20 0.42
TSHR P16473 2/20 0.42
RXRA P19793 1/20 0.42
NR4A2 P43354 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL7502850 0.90 MEN1 (0.59) PDE4BPDE4DPDE10AKMT2AMEN1
SCHEMBL7507341 0.77 PDE10A (0.48) PDE4BPDE10AADORA2AADORA1ALDH1A1
SCHEMBL15700620 0.76 PDE4B (1.00) PDE4BPDE4DKMT2AMEN1RXRA
SCHEMBL19357666 0.71 PDE10A (0.48) PDE4BPDE10AKMT2AMEN1ADORA2A
SCHEMBL5809944 0.68 PDE4B (0.51) PDE4BPDE4DKMT2AMEN1ADORA2A
SCHEMBL5805731 0.68 LMNA (0.62) PDE4BPDE4DKMT2AMEN1ADORA2A
SCHEMBL3253576 0.68 PDE10A (0.55) PDE10AKMT2AMEN1ADORA2AADORA1
SCHEMBL3369099 0.66 MEN1 (1.00) KMT2AMEN1ADORA2AADORA1ALDH1A1
SCHEMBL13849151 0.66 ALDH1A1 (0.54) KMT2AMEN1ADORA2AADORA1ALDH1A1
SCHEMBL7499394 0.65 PDE4B (0.50) PDE4BPDE4DALDH1A1HTTHSD17B10

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-2006100095-A1 SUBSTITUTED CARBOXAMIDES METHOD FOR PRODUCTION AND USE THEREOF AS TNF-ALPHA RELEASE INHIBITORS CURACYTE DISCOVERY GMBH (DE) 2006-09-28 WO disclosed