SCHEMBL8324489

SCHEMBL8324489

COc1cc(OC)nc(C2(C#N)OC(=O)c3c(-c4ccco4)ccnc32)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.34
MAPT P10636 7/20 0.34
POLB P06746 6/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
GLA P06280 4/20 0.34
GAA P10253 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
RECQL P46063 2/20 0.34
APEX1 P27695 1/20 0.34
BLM P54132 1/20 0.34
ALDH1A1 P00352 4/20 0.33
ADORA2A P29274 5/20 0.33
ADORA1 P30542 5/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
USP2 O75604 1/20 0.32
TUBB4A P04350 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 0.86 NPC1 (0.35) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL8324080 0.82 TUBB4A (0.35) KDM4EMAPTPOLBMEN1KMT2A
SCHEMBL8319636 0.82 MAOB (0.36) KDM4EMAPTMEN1KMT2AGLA
SCHEMBL8889709 0.71 NPC1 (0.33) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL8809088 0.69 HSP90AA1 (0.33) MAPTMEN1KMT2AALDH1A1
SCHEMBL8322076 0.68 HCRTR1 (0.36) KDM4EMAPTALDH1A1CES2
SCHEMBL8321836 0.65 EDNRA (0.37) MEN1KMT2AATMCES2
SCHEMBL8319030 0.65 MAOB (0.38) KDM4EMAPTMEN1KMT2AADORA2A
SCHEMBL8918214 0.62 CES2 (0.36) CES2
SCHEMBL8801256 0.61 HCRTR1 (0.35) ADORA2ACES2

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