SCHEMBL6778056

SCHEMBL6778056

CON(C(=O)c1ccccc1)c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 1/20 0.48
HSP90AA1 P07900 1/20 0.47
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
PLOD2 O00469 1/20 0.44
PLOD3 O60568 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PLOD1 Q02809 1/20 0.44
HIF1A Q16665 1/20 0.44
GRM1 Q13255 1/20 0.43
JAK2 O60674 1/20 0.42
TYK2 P29597 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 2/20 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
SCHEMBL4526462 0.89 HPGD (0.50) KMT2AKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL31606638 0.81 HPGD (0.41) KMT2AKDM4EMEN1HSP90AA1ALDH1A1
SCHEMBL11410329 0.78 KDM4E (0.44) KMT2AKDM4EMEN1HSP90AA1HPGD
SCHEMBL13479892 0.78 LMNA (0.48) KMT2AKDM4EALDH1A1HPGDCYP1A2
SCHEMBL30587712 0.78 OXTR (0.42) KMT2AKDM4EALDH1A1HPGDTSHR
SCHEMBL16654075 0.77 TSHR (0.54) KMT2AKDM4EALDH1A1POLBTSHR
SCHEMBL12103690 0.77 KMT2A (0.56) KMT2AKDM4EMEN1HSP90AA1ALDH1A1
Pyrazine SCHEMBL28474766 0.76 KMT2A (0.47) KMT2AKDM4EMEN1HSP90AA1ALDH1A1
SCHEMBL13723635 0.74 PBRM1 (0.51) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL27764304 0.74 JAK2 (0.49) KMT2AKDM4EMEN1HSP90AA1ALDH1A1

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-6780883-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; RESTENOSIS; DIETETICS WARNER-LAMBERT COMPANY 2004-08-24 US disclosed