SCHEMBL28768751

SCHEMBL28768751

C=C(C)C(=O)NCCNc1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.55
MAPT P10636 5/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
POLB P06746 4/20 0.52
MAPK1 P28482 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
EGFR P00533 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
BLM P54132 2/20 0.52
ALDH1A1 P00352 2/20 0.52
RAD52 P43351 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RAB9A P51151 2/20 0.49
PABPC1 P11940 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NSD2 O96028 2/20 0.47

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
SCHEMBL12658885 0.91 MAPT (0.55) MAOAMAPTMEN1KMT2APOLB
SCHEMBL1071678 0.91 MEN1 (0.57) MAOAMAPTMEN1KMT2APOLB
SCHEMBL1993795 0.81 MAOA (0.72) MAOAMAPTMEN1KMT2APOLB
SCHEMBL9819645 0.80 MEN1 (0.55) MAOAMAPTMEN1KMT2APOLB
SCHEMBL2840051 0.80 MAOA (0.52) MAOAMAPTMEN1KMT2APOLB
SCHEMBL30238611 0.80 MAOA (0.52) MAOAMAPTMEN1KMT2APOLB
SCHEMBL31616824 0.80 MAOA (0.49) MAOAMAPTMEN1KMT2APOLB
SCHEMBL8064424 0.80 MAOA (0.49) MAOAMAPTMEN1KMT2APOLB
SCHEMBL11485130 0.79 MAOA (0.61) MAOAMAPTMEN1KMT2APOLB
SCHEMBL2831572 0.78 MAPT (0.54) MAOAMAPTMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101094879-B Polysiloxane prepolymers for biomedical devices BAUSCH & LOMB 2011-08-10 CN disclosed
CN-101094878-B Polysiloxane prepolymers for biomedical devices BAUSCH & LOMB 2011-04-13 CN disclosed
CN-101094879-A Polysiloxane prepolymers for biomedical devices BAUSCH & LOMB (US) 2007-12-26 CN disclosed
CN-101094878-A Polysiloxane prepolymers for biomedical devices BAUSCH & LOMB (US) 2007-12-26 CN disclosed