SCHEMBL9044140

SCHEMBL9044140

C#CCc1c(-c2ccccc2)nc(CC)n(CC)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.47
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
FAAH O00519 3/20 0.39
HPGD P15428 3/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
ADORA2B P29275 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
ADORA1 P30542 1/20 0.37
THPO P40225 1/20 0.37
PMP22 Q01453 1/20 0.37

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
SCHEMBL9044587 0.82 KDM5A (0.46) KDM5AKDM4EALDH1A1KDM5BHPGD
SCHEMBL9045877 0.82 KDM5A (0.46) KDM5AKDM4EALDH1A1KDM5BHPGD
SCHEMBL9044437 0.78 KDM5A (0.46) KDM5AKDM4EALDH1A1KDM5BHPGD
SCHEMBL9044604 0.74 KDM5A (0.50) KDM5AKDM4EALDH1A1MEN1MAPT
SCHEMBL9045010 0.71 KDM5A (0.47) KDM5AKDM4EALDH1A1MAPTKDM5B
SCHEMBL14363850 0.68 KDM4E (0.60) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL8137227 0.68 CYP1A2 (0.43) KDM5AKDM4EALDH1A1HSD17B10LMNA
SCHEMBL9045892 0.67 CYP1A2 (0.58) KDM5AKDM4EALDH1A1MAPTKMT2A
SCHEMBL8678382 0.66 TLR7 (0.43) KDM5AKDM4EALDH1A1HPGDMAPK1
SCHEMBL8678312 0.65 ALDH1A1 (0.50) KDM4EALDH1A1MAPTKDM5BHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579425-B1 6-arylpyrimidines and herbicidal use thereof ROHM & HAAS (US) 1996-10-09 EP claimed
US-5298481-A 6-arylpyrimidines and herbicidal use ROHM AND HAAS COMPANY (US) 1994-03-29 US claimed
CN-1081439-A 6-Arylpyrimidines and weeding thereof are used ROHM & HAAS (US) 1994-02-02 CN claimed
EP-0579425-A1 6-arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1994-01-19 EP claimed
EP-0579425-B1 6-arylpyrimidines and herbicidal use thereof ROHM & HAAS (US) 1996-10-09 EP disclosed