SCHEMBL22485482

SCHEMBL22485482

Cc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1NC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPT P10636 5/20 0.49
MEN1 O00255 4/20 0.49
MAPK1 P28482 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 4/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
POLB P06746 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
BRAF P15056 1/20 0.40

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
SCHEMBL6929657 0.86 POLB (0.59) KMT2AALDH1A1MAPTMEN1MAPK1
SCHEMBL2979786 0.83 CYP1A2 (0.55) KMT2AALDH1A1MAPTMEN1MAPK1
SCHEMBL9220189 0.77 MAPT (0.51) KMT2AALDH1A1MAPTMEN1MAPK1
SCHEMBL28121437 0.77 RAB9A (0.62) ALDH1A1MAPK1HPGDHTTLMNA
SCHEMBL30050717 0.76 MAPT (0.55) KMT2AALDH1A1MAPTMEN1MAPK1
SCHEMBL378893 0.76 MAPT (0.55) KMT2AALDH1A1MAPTMEN1MAPK1
SCHEMBL3239869 0.76 L3MBTL1 (0.62) KMT2AALDH1A1MAPTMEN1MAPK1
SCHEMBL16318113 0.75 CNR2 (0.52) KMT2AALDH1A1MAPTMEN1MAPK1
SCHEMBL11468369 0.74 MAPT (0.53) KMT2AALDH1A1MAPTMEN1MAPK1
SCHEMBL31725340 0.74 KMT2A (0.65) KMT2AALDH1A1MAPTMEN1HPGD

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-2020196553-A1 METHOD FOR PRODUCING N-SUBSTITUTED TRIHALOACETAMIDE 国立大学法人神戸大学 2020-10-01 WO disclosed