SCHEMBL4411199

SCHEMBL4411199

CC(CC(=O)NN)NCc1cccc(CNC(C)CC(=O)NN)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
MEP1B Q16820 6/20 0.43
ALDH1A1 P00352 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
AOC2 O75106 1/20 0.39
CD274 Q9NZQ7 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
AOC3 Q16853 1/20 0.37

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
Diphenylmethane SCHEMBL4414601 0.73 SLC1A3 (0.46) KMT2AMEN1ALDH1A1SIGMAR1CYP1A2
SCHEMBL28264986 0.72 SIGMAR1 (0.58) KMT2AMEN1ALDH1A1SIGMAR1
SCHEMBL13200644 0.72 SIGMAR1 (0.52) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL28633645 0.72 LMNA (0.56) SIGMAR1
SCHEMBL4855673 0.71 SIGMAR1 (0.61) KMT2AMEN1ALDH1A1SIGMAR1CD274
SCHEMBL2852187 0.71 SIGMAR1 (0.61) KMT2AMEN1ALDH1A1SIGMAR1CD274
SCHEMBL4849306 0.71 SIGMAR1 (0.61) KMT2AMEN1ALDH1A1SIGMAR1CD274
SCHEMBL20578147 0.71 MAOB (0.49) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL20578148 0.71 MAOB (0.49) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL7194491 0.70 AOC2 (0.67) KMT2AMEN1CYP2C9ALDH1A1AOC2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638565-B2 Polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2009-12-29 US disclosed
US-20070054998-A1 Polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2007-03-08 US disclosed
EP-1686156-A1 POLYACETAL RESIN COMPOSITION Polyplastics Co., Ltd. (JP) 2006-08-02 EP disclosed