SCHEMBL14403955

SCHEMBL14403955

C=C(NCCCc1ccccc1)c1c(C)nc(SC)nc1-c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPT P10636 4/20 0.39
▸ PLAAT3 P53816 1/20 0.37
▸ PLAAT5 Q96KN8 1/20 0.37
▸ PLAAT2 Q9NWW9 1/20 0.37
▸ PLAAT4 Q9UL19 1/20 0.37
▸ ASAH1 Q13510 2/20 0.37
▸ HCK P08631 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL4494247 0.89 L3MBTL1 (0.50) TP53ALDH1A1HTTMEN1LMNA
SCHEMBL4509768 0.80 L3MBTL1 (0.49) ALDH1A1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL4511334 0.79 ADORA3 (0.49) KDM4E
SCHEMBL4505558 0.78 L3MBTL1 (0.52) MEN1LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL4502879 0.77 L3MBTL1 (0.53) TP53ALDH1A1HTTMEN1LMNA
SCHEMBL4515273 0.77 L3MBTL1 (0.53) ALDH1A1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL4491438 0.77 L3MBTL1 (0.48) KMT2ASMN1; SMN2KDM4EL3MBTL1NPC1
SCHEMBL4515788 0.77 L3MBTL1 (0.50) TP53SMN1; SMN2KDM4EL3MBTL1NPC1
SCHEMBL4503077 0.77 L3MBTL1 (0.52) TP53ALDH1A1HTTMEN1LMNA
SCHEMBL13936914 0.77 L3MBTL1 (0.49) HTTSMN1; SMN2KDM4EL3MBTL1MAPT

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-1849765-A1 METHOD FOR PRODUCING PYRIMIDINE COMPOUND Ajinomoto Co., Inc. (JP) 2007-10-31 — — EP disclosed
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