SCHEMBL10520409

SCHEMBL10520409

NC(=O)CC=Cc1ccc(-n2ccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.53
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
MITF O75030 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TBXAS1 P24557 3/20 0.49
CYP3A4 P08684 1/20 0.49
BAZ2B Q9UIF8 1/20 0.49
LMNA P02545 1/20 0.47
ENPP2 Q13822 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
ESR1 P03372 1/20 0.47
ADH5 P11766 2/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL8828266 0.87 MAOB (0.54) MAOBMAPTKDM4EMEN1MITF
SCHEMBL8828261 0.87 MAOB (0.54) MAOBMAPTKDM4EMEN1MITF
SCHEMBL6852411 0.81 ENPP2 (0.54) MAOBMAPTKDM4EMEN1MITF
SCHEMBL6852406 0.81 ENPP2 (0.54) MAOBMAPTKDM4EMEN1MITF
SCHEMBL7385020 0.81 MAOB (0.52) MAOBMAPTKDM4EMEN1MITF
SCHEMBL8401613 0.81 MAOB (0.52) MAOBMAPTKDM4EMEN1MITF
SCHEMBL1238616 0.77 ESR1 (0.67) MAOBMAPTKDM4EMEN1MITF
SCHEMBL1238620 0.77 ESR1 (0.67) MAOBMAPTKDM4EMEN1MITF
Hydrochloric Acid SCHEMBL7328751 0.75 ESR1 (0.65) MAOBMAPTKDM4EMEN1MITF
Hydrochloric Acid SCHEMBL7328757 0.75 ESR1 (0.65) MAOBMAPTKDM4EMEN1MITF

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-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 EP disclosed