SCHEMBL8319636

SCHEMBL8319636

COc1cc(OC)nc(C2(C#N)OC(=O)c3c(-c4cccs4)ccnc32)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.36
MAOA P21397 2/20 0.36
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HCRTR1 O43613 4/20 0.34
HCRTR2 O43614 4/20 0.34
PIM1 P11309 2/20 0.33
MAPT P10636 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8321570 0.84 NPC1 (0.35) MAOBKDM4EALDH1A1HCRTR1HCRTR2
SCHEMBL8319030 0.83 MAOB (0.38) MAOBMAOAKDM4EHCRTR1HCRTR2
SCHEMBL8324489 0.82 KDM4E (0.34) KDM4EALDH1A1HPGDTDP1MAPT
SCHEMBL8889709 0.69 NPC1 (0.33) ALDH1A1NPSR1MAPTSMN1; SMN2MEN1
SCHEMBL8319649 0.69 MAOB (0.39) MAOBMAOAKDM4EALDH1A1HCRTR1
SCHEMBL8809088 0.68 HSP90AA1 (0.33) ALDH1A1NPSR1MAPTSMN1; SMN2MEN1
SCHEMBL8322076 0.66 HCRTR1 (0.36) MAOBKDM4EALDH1A1HCRTR1HCRTR2
SCHEMBL8324080 0.65 TUBB4A (0.35) KDM4EALDH1A1HPGDTDP1MAPT
SCHEMBL8321836 0.64 EDNRA (0.37) MAOBNPSR1MEN1KMT2A
SCHEMBL8323070 0.63 MAPT (0.42) ALDH1A1HPGDTDP1HCRTR1HCRTR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752424-B1 NICOTINIC ACID DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-06-16 EP disclosed
US-5877120-A Nicotinic acid derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1999-03-02 US disclosed
EP-0752424-A1 NICOTINIC ACID DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1997-01-08 EP disclosed