SCHEMBL19158322

SCHEMBL19158322

CN(CCCCC1C=NC(c2nccc3c(O)ncnc23)=C1)Cc1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TMEM97 Q5BJF2 4/20 0.32
▸ SIGMAR1 Q99720 4/20 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
SCHEMBL19158945 0.92 MAPK13 (0.34) —
SCHEMBL17503804 0.72 KDM4C (0.41) KDM4ETSHR
SCHEMBL20550782 0.69 KDM4C (0.39) KDM4ETSHR
SCHEMBL20243693 0.66 TSHR (0.35) KDM4ETSHR
SCHEMBL17503779 0.62 KDM5B (0.41) —
SCHEMBL17503744 0.62 KDM2B (0.39) —
SCHEMBL31612490 0.59 SIGMAR1 (0.55) KDM4ETSHRTMEM97SIGMAR1
SCHEMBL17917694 0.58 SIGMAR1 (0.54) KDM4ETSHRTMEM97SIGMAR1
SCHEMBL9131306 0.58 TMEM97 (0.56) KDM4ETSHRTMEM97SIGMAR1
SCHEMBL7855918 0.58 SIGMAR1 (0.51) KDM4ETSHRTMEM97SIGMAR1

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-2970211-B1 HISTONE DEMETHYLASE INHIBITORS QUANTICEL PHARMACEUTICALS INC (US) 2017-07-26 — — EP disclosed
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