SCHEMBL28375307

SCHEMBL28375307

O=C(O)c1ccnc(CCc2ccc(Cn3ccccc3=O)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 9/20 0.54
KDM5A P29375 7/20 0.54
KDM5B Q9UGL1 7/20 0.54
KDM4A O75164 3/20 0.54
KLKB1 P03952 8/20 0.46
KLK1 P06870 5/20 0.46
KDM5C P41229 3/20 0.44
KDM2B Q8NHM5 1/20 0.44
KDM4E B2RXH2 2/20 0.42
KDM6B O15054 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
KDM3A Q9Y4C1 1/20 0.42
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 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
SCHEMBL28375280 0.89 KDM4C (0.53) KDM4CKDM5AKDM5BKDM4AKLKB1
SCHEMBL28375908 0.82 KDM4C (0.49) KDM4CKDM5AKDM5BKDM4AKLKB1
SCHEMBL16880479 0.81 KLKB1 (0.46) KDM4CKDM5AKDM5BKDM4AKLKB1
SCHEMBL27542831 0.81 KDM4C (0.63) KDM4CKDM5AKDM5BKDM4AKDM5C
Hydrochloric Acid SCHEMBL30523486 0.79 KDM4C (0.61) KDM4CKDM5AKDM5BKDM4AKDM5C
SCHEMBL28376435 0.79 KDM4C (0.46) KDM4CKDM5AKDM5BKDM4AKDM5C
SCHEMBL18360339 0.79 KLKB1 (0.42) KDM4CKDM5AKDM5BKLKB1KLK1
SCHEMBL23516967 0.78 PTGS1 (0.51) KLKB1KLK1KDM4EMEN1TP53
SCHEMBL16880891 0.76 KLKB1 (0.45) KLKB1KLK1
SCHEMBL16891520 0.76 KDM4C (0.42) KDM4CKDM5AKDM5BKDM4AKLKB1

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
CN-106061480-B Therapeutic inhibitory compounds 莱福斯希医药公司 2020-02-28 CN disclosed