SCHEMBL9044587

SCHEMBL9044587

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 6/20 0.46
CFTR P13569 1/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM5B Q9UGL1 3/20 0.36
ALDH1A1 P00352 3/20 0.36
ADORA2B P29275 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
ADORA1 P30542 1/20 0.36
THPO P40225 1/20 0.36
PMP22 Q01453 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KDM6B O15054 1/20 0.34

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
SCHEMBL9045010 0.85 KDM5A (0.47) KDM5AKDM4EHPGDKDM5BALDH1A1
SCHEMBL9044140 0.82 KDM5A (0.47) KDM5AKDM4EHPGDL3MBTL1KDM5B
SCHEMBL9045877 0.80 KDM5A (0.46) KDM5ACFTRKDM4EHPGDL3MBTL1
SCHEMBL9044604 0.72 KDM5A (0.50) KDM5AKDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL9044437 0.71 KDM5A (0.46) KDM5AKDM4EHPGDKDM5BALDH1A1
SCHEMBL8677926 0.67 GCGR (0.43) KDM5AKDM4EL3MBTL1ALDH1A1HSD17B10
SCHEMBL18347637 0.65 CYP1A2 (0.55) KDM4EHPGDL3MBTL1ALDH1A1MAPK1
SCHEMBL18152842 0.63 CFTR (0.47) CFTRKDM4EHPGDALDH1A1MAPK1
SCHEMBL8678382 0.62 TLR7 (0.43) KDM5AKDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL11147953 0.61 ADORA1 (0.46) KDM5AKDM4EHPGDALDH1A1ADORA2B

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