SCHEMBL28376364

SCHEMBL28376364

CC(=O)NCc1ccc(CCc2cc(C(=O)O)ccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.57
▸ KDM5B Q9UGL1 8/20 0.44
▸ KDM5A P29375 5/20 0.44
▸ KDM4C Q9H3R0 5/20 0.44
▸ KDM4A O75164 4/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ KDM5C P41229 6/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KLKB1 P03952 1/20 0.43
▸ MAP4K1 Q92918 1/20 0.43
▸ KDM4B O94953 1/20 0.42
▸ KDM6B O15054 3/20 0.42
▸ KDM2B Q8NHM5 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 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
SCHEMBL12252466 0.84 KMT2A (0.51) KMT2AKDM5BKDM5AKDM4CKDM4A
SCHEMBL27542831 0.80 KDM4C (0.63) KDM5BKDM5AKDM4CKDM4AKDM5C
Hydrochloric Acid SCHEMBL30523486 0.79 KDM4C (0.61) KDM5BKDM5AKDM4CKDM4AKDM5C
SCHEMBL16891458 0.78 KLKB1 (0.49) KMT2AKDM5BKDM4AHDAC1HDAC6
SCHEMBL5214363 0.77 KDM5B (0.59) KMT2AKDM5BKDM5AKDM4CKDM4A
SCHEMBL28105209 0.76 KMT2A (0.60) KMT2AHDAC1HDAC6KDM4EALDH1A1
SCHEMBL16880902 0.75 KLKB1 (0.47) KMT2AKDM5BKDM5AKDM4CHDAC1
SCHEMBL5374862 0.75 KMT2A (1.00) KMT2AHDAC1HDAC6ALDH1A1MAPT
SCHEMBL17442586 0.74 KLKB1 (0.68) KMT2AKLKB1MAP4K1
SCHEMBL16055756 0.74 KDM4E (0.65) KDM5BKDM5AKDM4CKDM4AKDM5C

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
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