SCHEMBL30132709

SCHEMBL30132709

C=CC(=O)NCc1cnc(Oc2ccc(Cl)cc2)c2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPK8 P45983 3/20 0.40
▸ L3MBTL1 Q9Y468 5/20 0.40
▸ HTT P42858 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ ADAMTS5 Q9UNA0 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CARM1 Q86X55 1/20 0.37
▸ PRMT6 Q96LA8 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ EGLN1 Q9GZT9 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
SCHEMBL20554390 1.00 RAB9A (0.41) RAB9AKDM4EALDH1A1POLBMAPK8
SCHEMBL19054525 0.87 BRD4 (0.41) KDM4EMAPK8CARM1PRMT6MAPK14
SCHEMBL20554778 0.84 BRD4 (0.42) RAB9AKDM4EALDH1A1POLBL3MBTL1
SCHEMBL19054523 0.82 KDM4E (0.47) RAB9AKDM4EALDH1A1POLBL3MBTL1
SCHEMBL30132677 0.82 KDM4E (0.47) RAB9AKDM4EALDH1A1POLBL3MBTL1
SCHEMBL20554355 0.77 RAB9A (0.45) RAB9AKDM4EALDH1A1POLBL3MBTL1
SCHEMBL30132681 0.77 RAB9A (0.45) RAB9AKDM4EALDH1A1POLBL3MBTL1
SCHEMBL20554889 0.76 L3MBTL1 (0.39) KDM4EL3MBTL1SMN1; SMN2MAPTMAPK1
SCHEMBL30132567 0.76 L3MBTL1 (0.39) KDM4EL3MBTL1SMN1; SMN2MAPTMAPK1
SCHEMBL20554733 0.76 L3MBTL1 (0.42) KDM4EL3MBTL1SMN1; SMN2MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 — — CN disclosed
CN-108430972-B Alpha, beta-unsaturated amide compound 协和麒麟株式会社 2022-12-27 — — CN disclosed
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