SCHEMBL18708529

SCHEMBL18708529

CCCC(CCC)NC(=O)CNCc1cc(C(=O)O)ccn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 17/20 0.55
▸ KDM5C P41229 9/20 0.55
▸ KDM5A P29375 9/20 0.55
▸ KDM4A O75164 4/20 0.55
▸ KDM6B O15054 1/20 0.55
▸ KDM2B Q8NHM5 1/20 0.55
▸ KDM4C Q9H3R0 5/20 0.43
▸ KDM5D Q9BY66 1/20 0.43
▸ KDM4B O94953 2/20 0.42
▸ TAS1R3 Q7RTX0 2/20 0.37
▸ TAS1R1 Q7RTX1 2/20 0.37

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
SCHEMBL18708386 0.80 KDM5B (0.47) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16291579 0.80 KDM5B (0.62) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16912746 0.79 KDM5B (0.48) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16291896 0.79 KDM5B (0.57) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16292445 0.77 KDM5B (0.49) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16291504 0.76 KDM5B (0.46) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16291806 0.75 KDM5B (0.53) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15636266 0.73 KDM5B (0.74) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15636442 0.72 KDM5B (0.52) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16291759 0.71 KDM5B (0.49) KDM5BKDM5CKDM5AKDM4AKDM6B

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 2 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
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