SCHEMBL17365406

SCHEMBL17365406

O=C(CNCc1cc(/C=N/C2CC2)ccn1)NCCCn1cccn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.39
▸ LMNA P02545 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ FPR3 P25089 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ KDM2B Q8NHM5 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ KDM5B Q9UGL1 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
SCHEMBL18870012 0.85 KDM5B (0.37) KDM4ELMNAALDH1A1THRBKDM5A
SCHEMBL15995274 0.85 KDM5B (0.37) KDM4ELMNAALDH1A1THRBKDM5A
SCHEMBL16293500 0.81 KDM5B (0.36) KDM4ELMNAALDH1A1KDM5AKDM2B
SCHEMBL16006940 0.81 KDM5B (0.36) KDM4ELMNAALDH1A1KDM5AKDM2B
SCHEMBL16006920 0.78 KDM5B (0.34) KDM4EALDH1A1KMT2AMEN1KDM5A
SCHEMBL17984985 0.77 KDM5B (0.38) KDM4EKDM5AKDM2BKDM4CKDM5B
SCHEMBL18831148 0.76 KDM5B (0.36) ALDH1A1KDM5AKDM2BKDM4CKDM5B
SCHEMBL17984992 0.74 HRH3 (0.38) ALDH1A1
SCHEMBL16303322 0.74 HRH3 (0.38) ALDH1A1
SCHEMBL16305524 0.74 KDM5B (0.36) KMT2AMEN1KDM5AKDM2BKDM4C

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
US-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 — — US disclosed
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