SCHEMBL19664325

SCHEMBL19664325

CC(C)CC(NCc1cc(C(=O)O)ccn1)C(=O)NC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 7/20 0.44
▸ KDM5C P41229 5/20 0.43
▸ KDM4A O75164 3/20 0.43
▸ KDM5A P29375 2/20 0.43
▸ KDM6B O15054 2/20 0.43
▸ KDM2B Q8NHM5 1/20 0.43
▸ PSMB5 P28074 1/20 0.40
▸ KDM4B O94953 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ SIRT2 Q8IXJ6 3/20 0.37
▸ KDM4C Q9H3R0 2/20 0.36
▸ FOLH1 Q04609 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ KDM4D Q6B0I6 2/20 0.36
▸ KDM2A Q9Y2K7 1/20 0.35
▸ KDM3A Q9Y4C1 1/20 0.35
▸ MEP1B Q16820 1/20 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
SCHEMBL16291524 1.00 KDM5B (0.44) KDM5BKDM5CKDM4AKDM5AKDM6B
SCHEMBL19574371 0.81 KDM5B (0.45) KDM5BKDM5CKDM4AKDM5AKDM6B
SCHEMBL17144518 0.77 TRPV3 (0.50) KDM5BKDM5CKDM4AKDM5AKDM6B
SCHEMBL17144520 0.77 TRPV3 (0.50) KDM5BKDM5CKDM4AKDM5AKDM6B
SCHEMBL17144516 0.74 ALDH1A1 (0.39) KDM5BKDM5CKDM4AKDM5AKDM6B
SCHEMBL19741664 0.73 KDM5A (0.39) KDM5BKDM5APSMB5KDM4ESIRT2
SCHEMBL19741660 0.73 KDM5A (0.39) KDM5BKDM5APSMB5KDM4ESIRT2
SCHEMBL17144521 0.72 KDM5B (0.45) KDM5BKDM5CKDM4AKDM5AKDM6B
SCHEMBL19549130 0.72 KDM5B (0.47) KDM5BKDM5CKDM4AKDM5AKDM6B
SCHEMBL19741721 0.71 SMN1; SMN2 (0.42) KDM5BKDM5CKDM4APSMB5KDM4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3023415-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2017-12-06 — — EP disclosed
CN-107434803-A Histone demethylase inhibitor 吉利德科学公司 2017-12-05 — — CN disclosed
CN-104981458-B Inhibitors of histone demethylases 吉利德科学公司 2017-07-21 — — CN disclosed
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