SCHEMBL9876805

SCHEMBL9876805

CN(C)CCNC(=O)COc1ccc(-c2nn(-c3ccccc3)c3ncccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 3/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
RXFP1 Q9HBX9 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
CASP2 P42575 1/20 0.42
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
Fumaric Acid SCHEMBL9236944 0.96 LMNA (0.41) LMNASMN1; SMN2HPGDROCK2ROCK1
Maleic Acid SCHEMBL9236940 0.96 LMNA (0.41) LMNASMN1; SMN2HPGDROCK2ROCK1
SCHEMBL9876904 0.91 CYP1A2 (0.51) LMNASMN1; SMN2HPGDRXFP1ALDH1A1
Fumaric Acid SCHEMBL9236150 0.87 CYP1A2 (0.47) LMNASMN1; SMN2HPGDRXFP1ALDH1A1
Fumaric Acid SCHEMBL9236146 0.87 CYP1A2 (0.47) LMNASMN1; SMN2HPGDRXFP1ALDH1A1
SCHEMBL9236865 0.83 PTGER1 (0.49) LMNASMN1; SMN2HPGDMAPK1
SCHEMBL9876810 0.82 TNK2 (0.46)
Fumaric Acid SCHEMBL9236957 0.81 PSMB5 (0.43) SMN1; SMN2ALDH1A1
Maleic Acid SCHEMBL9236952 0.81 PSMB5 (0.43) SMN1; SMN2ALDH1A1
Maleic Acid SCHEMBL9230995 0.81 LSS (0.45) ALDH1A1

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-5006520-A Antibiotics, antitumor agents, treatment of blood disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-04-09 US disclosed