SCHEMBL11627613

SCHEMBL11627613

CCNC(=O)Cc1cccc(N)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.50
ROCK1 Q13464 1/20 0.45
HCRTR2 O43614 1/20 0.43
NPC1 O15118 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
ALDH1A1 P00352 3/20 0.41
AOC2 O75106 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP19A1 P11511 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
DDX3X O00571 1/20 0.40

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
SCHEMBL11630877 0.87 GLS (0.48) GLSROCK1ALDH1A1AOC2SMN1; SMN2
SCHEMBL11626374 0.84 HPGD (0.57) GLSKDM4ESMN1; SMN2MEN1HPGD
SCHEMBL1634793 0.83 GLS (0.52) GLSROCK1MAOAMAOBALDH1A1
SCHEMBL11628769 0.82 TRPV1 (0.63) GLSHPGD
SCHEMBL11625886 0.82 ALDH1A1 (0.59) NPC1ALDH1A1MEN1HPGDKMT2A
SCHEMBL2507987 0.82 GLS (0.49) GLSROCK1MAOAMAOBALDH1A1
SCHEMBL20515032 0.81 SMN1; SMN2 (0.49) GLSROCK1HCRTR2NPC1ALDH1A1
SCHEMBL13753360 0.81 NPC1 (0.61) GLSNPC1ALDH1A1KDM4EMEN1
SCHEMBL30598810 0.81 NPC1 (0.61) GLSNPC1ALDH1A1KDM4EMEN1
SCHEMBL11630463 0.81 PPID (0.51) GLSALDH1A1KDM4EMEN1HPGD

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
US-4067726-A 3-Ureido phenylacetamide herbicides BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed