SCHEMBL14742996

SCHEMBL14742996

COC(=O)c1cc(NC(=O)c2ccncc2)cc2c(Cl)cc(Cl)cc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NT5E P21589 1/20 0.46
▸ TYK2 P29597 5/20 0.45
▸ JAK2 O60674 3/20 0.45
▸ JAK1 P23458 2/20 0.45
▸ GAA P10253 1/20 0.44
▸ KCNMA1 Q12791 1/20 0.44
▸ MAPK10 P53779 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL14743883 0.78 MAPK1 (0.46) KDM4EMAPK1LMNAPOLBSMN1; SMN2
SCHEMBL10062329 0.74 KDM4E (0.63) KDM4EMAPK1LMNAPOLBKMT2A
SCHEMBL14742998 0.71 RAB9A (0.40) KDM4EPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL14743107 0.70 LMNA (0.49) KDM4EMAPK1LMNAPOLBSMN1; SMN2
SCHEMBL27193268 0.68 KDM4E (0.76) KDM4ELMNAPOLBSMN1; SMN2KMT2A
SCHEMBL11617697 0.68 MAPK1 (1.00) KDM4EMAPK1LMNAPOLBSMN1; SMN2
SCHEMBL14743106 0.67 KDM4E (0.53) KDM4EMAPK1LMNASMN1; SMN2KMT2A
SCHEMBL14743884 0.66 RAB9A (0.39) KDM4ELMNAPOLBSMN1; SMN2KMT2A
SCHEMBL1520032 0.66 KCNMA1 (0.75) KDM4EMAPK1LMNAPOLBSMN1; SMN2
Methyl Alcohol SCHEMBL28281305 0.65 GAA (0.84) KDM4EMAPK1LMNAPOLBSMN1; SMN2

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
WO-2013030358-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2013-03-07 — — WO disclosed
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