SCHEMBL17772477

SCHEMBL17772477

Cn1ccnc1CCCNC(=O)C(CO)NCc1cc(C(=O)O)ccn1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 10/20 0.35
▸ KDM5A P29375 6/20 0.35
▸ KDM5C P41229 5/20 0.35
▸ KDM4A O75164 3/20 0.35
▸ KDM2B Q8NHM5 2/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ KDM4D Q6B0I6 1/20 0.34
▸ KDM4C Q9H3R0 4/20 0.34
▸ OPRK1 P41145 1/20 0.33
▸ JMJD6 Q6NYC1 1/20 0.33
▸ KDM4B O94953 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ ADAM17 P78536 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ NMT2 O60551 1/20 0.32
▸ NMT1 P30419 1/20 0.32

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
SCHEMBL16310762 0.84 KDM5B (0.39) KDM5BKDM5AKDM5CKDM4AKDM2B
SCHEMBL16291432 0.84 KDM5B (0.39) KDM5BKDM5AKDM5CKDM4AKDM2B
SCHEMBL19574692 0.78 KDM5B (0.41) KDM5BKDM5AKDM5CKDM4AKDM2B
SCHEMBL15638915 0.72 KDM5B (0.56) KDM5BKDM5AKDM5CKDM4AKDM2B
SCHEMBL16291504 0.71 KDM5B (0.46) KDM5BKDM5AKDM5CKDM4AKDM2B
SCHEMBL17144520 0.68 TRPV3 (0.50) KDM5BKDM5AKDM5CKDM4AKDM2B
SCHEMBL17144518 0.68 TRPV3 (0.50) KDM5BKDM5AKDM5CKDM4AKDM2B
SCHEMBL24015863 0.67 FNTA (0.43) NAMPTKDM4E
SCHEMBL17144521 0.65 KDM5B (0.45) KDM5BKDM5AKDM5CKDM4AKDM2B
Acetic Acid SCHEMBL2943155 0.65 FNTA (0.47) NAMPTOPRK1PRMT5WDR77

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 4 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
EP-3150582-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-04-05 — — EP disclosed
EP-2903968-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2016-12-07 — — EP disclosed
EP-3023415-A1 INHIBITORS OF HISTONE DEMETHYLASES Epitherapeutics ApS (DK) 2016-05-25 — — EP disclosed
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