SCHEMBL24865208

SCHEMBL24865208

CN(C(=O)CC#N)c1cccc2c1oc1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.50
▸ ALOX5 P09917 3/20 0.43
▸ KMT2A Q03164 3/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.36
▸ AHR P35869 1/20 0.36
▸ MAOA P21397 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HCRTR1 O43613 1/20 0.33

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
SCHEMBL24864793 0.85 KCNH2 (0.48) KCNH2ALOX5KMT2ARAB9AKDM4E
SCHEMBL20886912 0.79 ALOX5 (0.47) ALOX5KMT2ARAB9AKDM4EAHR
SCHEMBL30804570 0.78 SIGMAR1 (0.54) KCNH2KMT2AKDM4EALDH1A1MEN1
SCHEMBL24865037 0.78 SIGMAR1 (0.54) KCNH2KMT2AKDM4EALDH1A1MEN1
SCHEMBL20172784 0.73 ALDH1A1 (0.41) KCNH2ALOX5KMT2ARAB9AKDM4E
SCHEMBL23046767 0.73 ALOX5 (0.44) ALOX5KMT2ARAB9AKDM4EAHR
SCHEMBL19929766 0.72 ALOX5 (0.43) ALOX5KMT2ARAB9AKDM4EAHR
SCHEMBL24864802 0.70 ALOX5 (0.42) ALOX5KMT2ARAB9AKDM4EAHR
SCHEMBL28245573 0.70 ALOX5 (0.46) ALOX5KMT2ARAB9AKDM4EAHR
SCHEMBL22857649 0.70 ALOX5 (0.41) ALOX5KMT2ARAB9AKDM4EAHR

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-117616032-A Rare earth complex 东曹株式会社 2024-02-27 — — CN disclosed
WO-2023282236-A1 RARE EARTH COMPLEX 東ソー株式会社 2023-01-12 — — WO disclosed
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