SCHEMBL19676471

SCHEMBL19676471

O=C(O)c1ccnc(CNCC(=O)N2CCCC2CCN2CCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 2/20 0.42
▸ KDM5B Q9UGL1 5/20 0.42
▸ KDM5C P41229 3/20 0.42
▸ KDM4A O75164 2/20 0.42
▸ KDM5A P29375 2/20 0.42
▸ KDM6B O15054 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.40
▸ DPP4 P27487 3/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL16291439 0.90 HRH3 (0.46) KDM2BKDM5BKDM5CKDM4AKDM5A
SCHEMBL16310721 0.90 HRH3 (0.46) KDM2BKDM5BKDM5CKDM4AKDM5A
SCHEMBL16291521 0.86 KDM5B (0.44) KDM2BKDM5BKDM5CKDM4AKDM5A
SCHEMBL15637611 0.83 DPP4 (0.47) KDM2BKDM5BKDM5CKDM4AKDM5A
SCHEMBL15636442 0.78 KDM5B (0.52) KDM2BKDM5BKDM5CKDM4AKDM5A
SCHEMBL16293429 0.77 HRH3 (0.47) —
SCHEMBL16006922 0.77 HRH3 (0.43) —
SCHEMBL19676422 0.77 KDM4C (0.42) KDM5CKDM4CDPP4DPP8DPP9
SCHEMBL15637693 0.76 KDM2B (0.51) KDM2BKDM5BKDM5CKDM4AKDM5A
SCHEMBL15636566 0.74 KDM2B (0.49) KDM2BKDM5BKDM5CKDM4AKDM5A

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
EP-3023415-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2017-12-06 — — EP disclosed
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