SCHEMBL1877690

SCHEMBL1877690

CCC(=O)N(Cc1ccccc1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
LMNA P02545 1/20 0.46
OPRM1 P35372 2/20 0.46
CYP2C19 P33261 1/20 0.45
RIPK1 Q13546 2/20 0.45
ALDH1A1 P00352 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
TSPO P30536 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
SCHEMBL7502743 0.87 KMT2A (0.56) KMT2AMEN1HTTL3MBTL1NPC1
SCHEMBL250885 0.83 CES1 (0.53) KMT2AMEN1HTTL3MBTL1NPC1
SCHEMBL6648152 0.82 MEN1 (0.50) KMT2AMEN1HTTL3MBTL1NPC1
SCHEMBL24193442 0.80 MEN1 (0.47) KMT2AMEN1HTTL3MBTL1NPC1
SCHEMBL10338250 0.79 MEN1 (0.46) KMT2AMEN1HTTL3MBTL1NPC1
SCHEMBL5007991 0.78 MTOR (0.47) KMT2AMEN1HTTL3MBTL1NPC1
SCHEMBL20671852 0.77 ALDH1A1 (0.53) NPC1RAB9ALMNAOPRM1ALDH1A1
SCHEMBL27696233 0.77 NPC1 (0.52) KMT2AMEN1HTTL3MBTL1NPC1
SCHEMBL27369291 0.76 PTGES (0.51) KMT2AMEN1HTTL3MBTL1NPC1
SCHEMBL5007989 0.76 MEN1 (0.44) KMT2AMEN1HTTL3MBTL1NPC1

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-2011051455-A1 PESTICIDAL HETEROCYCLIC COMPOUNDS BAYER CROPSCIENCE AG (DE) 2011-05-05 WO disclosed