SCHEMBL18708309

SCHEMBL18708309

O=C(O)c1ccnc(CNCC(=O)N(Cl)CCCCN(Cc2ccccc2)C2CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 15/20 0.57
▸ KDM5C P41229 8/20 0.50
▸ KDM5A P29375 8/20 0.50
▸ KDM4A O75164 3/20 0.50
▸ KDM2B Q8NHM5 2/20 0.50
▸ KDM6B O15054 1/20 0.50
▸ KDM4C Q9H3R0 5/20 0.43
▸ KDM4B O94953 1/20 0.41
▸ KDM5D Q9BY66 1/20 0.41
▸ ACKR3 P25106 1/20 0.37
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL19574653 0.90 KDM5B (0.70) KDM5BKDM5CKDM5AKDM4AKDM2B
SCHEMBL15636990 0.89 KDM5B (0.60) KDM5BKDM5CKDM5AKDM4AKDM2B
SCHEMBL16291869 0.85 KDM5B (0.50) KDM5BKDM5CKDM5AKDM4AKDM2B
SCHEMBL28168442 0.77 KDM5B (0.44) KDM5BACKR3
SCHEMBL15994092 0.73 KDM5B (0.42) KDM5BKDM5CKDM5AKDM4AKDM2B
SCHEMBL16006904 0.72 ACKR3 (0.39) KDM5BKDM5CKDM4AKDM4CKDM4B
SCHEMBL19676466 0.72 KDM5B (0.49) KDM5BKDM5CKDM5AKDM4AKDM2B
SCHEMBL19574682 0.72 KDM5B (0.49) KDM5BKDM5CKDM5AKDM4AKDM2B
SCHEMBL16293306 0.70 CHRM2 (0.55) ACKR3KMT2A
SCHEMBL15636266 0.69 KDM5B (0.74) KDM5BKDM5CKDM5AKDM4AKDM2B

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-3150582-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-04-05 — — EP disclosed
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