SCHEMBL10874652

SCHEMBL10874652

CCC(N)CNC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 2/20 0.58
NCOR2 Q9Y618 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MAOB P27338 1/20 0.55
PARP10 Q53GL7 1/20 0.55
LMNA P02545 1/20 0.54
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
LTA4H P09960 1/20 0.52
SPHK2 Q9NRA0 2/20 0.52
HDAC4 P56524 1/20 0.52

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
SCHEMBL10872706 0.82 RAB9A (0.56) SMN1; SMN2KMT2AMAPTALDH1A1LMNA
SCHEMBL10289219 0.80 HDAC3 (0.78) HDAC3HDAC1HDAC2NCOR2SMN1; SMN2
SCHEMBL5637555 0.80 NR4A1 (0.56) HDAC3HDAC1HDAC2NCOR2SMN1; SMN2
SCHEMBL25870996 0.78 NR4A1 (0.66) HDAC3HDAC1HDAC2NCOR2SMN1; SMN2
SCHEMBL16233172 0.78 SLC6A5 (0.55) HDAC3HDAC1HDAC2NCOR2SMN1; SMN2
SCHEMBL863916 0.78 ALDH1A1 (0.88) HDAC3HDAC1HDAC2NCOR2SMN1; SMN2
SCHEMBL748869 0.78 SPHK2 (0.81) HDAC3HDAC1HDAC2NCOR2SMN1; SMN2
SCHEMBL13624261 0.78 LTA4H (0.54) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL28761131 0.77 ALDH1A1 (0.66) HDAC3HDAC1HDAC2NCOR2SMN1; SMN2
SCHEMBL1222408 0.77 ITGB3 (0.73) HDAC3HDAC1HDAC2NCOR2SMN1; SMN2

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-0199042-A1 Procainamide assay, tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1986-10-29 EP disclosed