SCHEMBL8325574

SCHEMBL8325574

CCSC(=O)c1c(-c2ccc(Cl)cc2)ccnc1C(=O)c1nc(OC)cc(OC)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CNR1 P21554 4/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.34
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
NPC1 O15118 1/20 0.32
KMO O15229 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
SCHEMBL8323690 0.84 NPC1 (0.40) MAPTKDM4ECNR1EDNRBEDNRA
SCHEMBL8323688 0.83 CSNK2A1 (0.38) KMT2AMEN1MAPTTDP1KDM4E
SCHEMBL8325580 0.83 ALDH1A1 (0.38) KMT2AMEN1MAPTTDP1KDM4E
SCHEMBL8322330 0.71 PRKCZ (0.40) KMT2AMEN1TDP1KDM4EALDH1A1
SCHEMBL9164765 0.70 DHODH (0.39) MAPTCNR1NPC1
SCHEMBL9163080 0.69 DHODH (0.38) MAPTCNR1NPC1
SCHEMBL9164741 0.69 CNR1 (0.40) MAPTCNR1L3MBTL1EDNRBEDNRA
SCHEMBL9163071 0.68 CSNK2A1 (0.38) KMT2AMEN1MAPTTDP1CNR1
SCHEMBL8323952 0.64 HCRTR1 (0.42) KMT2AKDM4ELMNAL3MBTL1HCRTR1
SCHEMBL8959297 0.63 DHODH (0.44)

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