SCHEMBL20732425

SCHEMBL20732425

CNC(CCCCN(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 12/20 0.40
▸ KDM4C Q9H3R0 12/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ KDM7A Q6ZMT4 1/20 0.40
▸ PHF8 Q9UPP1 1/20 0.40
▸ KDM2A Q9Y2K7 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CPB2 Q96IY4 1/20 0.35
▸ FOLH1 Q04609 2/20 0.35

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
SCHEMBL805213 1.00 KDM4A (0.40) KDM4AKDM4CKDM5AKDM7APHF8
SCHEMBL25657481 0.86 UTS2R (0.33) ALDH1A1FOLH1
SCHEMBL24157900 0.85 ALDH1A1 (0.37) KDM4AKDM4CKDM5AKDM7APHF8
SCHEMBL19381471 0.85 ALDH1A1 (0.37) KDM4AKDM4CKDM5AKDM7APHF8
SCHEMBL24642454 0.85 KDM4A (0.40) KDM4AKDM4CKDM5AKDM7APHF8
SCHEMBL25358066 0.84 FOLH1 (0.38) ALDH1A1FOLH1
SCHEMBL25358064 0.84 FOLH1 (0.38) ALDH1A1FOLH1
SCHEMBL8171418 0.83 KDM4A (0.39) KDM4AKDM4CKDM5AKDM7APHF8
SCHEMBL18373090 0.83 ALDH1A1 (0.36) KDM4AKDM4CKDM5AKDM7APHF8
SCHEMBL27383905 0.82 BHMT (0.42) KDM4AKDM4CKDM5APHF8FOLH1

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
WO-2019031614-A1 ANTIBODY-DRUG CONJUGATES INCLUDING HEMIASTERLIN DERIVATIVE 大日本住友製薬株式会社 2019-02-14 — — WO disclosed
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