SCHEMBL5873449

SCHEMBL5873449

CNc1ccc(Cl)cc1C1(OC(=O)C(O)C(O)C(=O)OC2(c3cc(Cl)ccc3NC)NCCc3ccccc32)NCCc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HTR2B P41595 2/20 0.32
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
TAS1R2 Q8TE23 2/20 0.31
HSD17B3 P37058 1/20 0.31
EDNRB P24530 2/20 0.30
EDNRA P25101 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KIF11 P52732 1/20 0.30
CHRM2 P08172 1/20 0.30

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
SCHEMBL1668272 0.76 EDNRB (0.38) EDNRBEDNRAKIF11
SCHEMBL1477982 0.76 EDNRB (0.38) EDNRBEDNRAKIF11
SCHEMBL28756453 0.69 HTR2A (0.56) HTR2AHTR2CHTR2B
SCHEMBL28476847 0.66 KIF11 (0.37) ALDH1A1GAAEDNRBEDNRASMN1; SMN2
SCHEMBL28476843 0.66 KIF11 (0.37) ALDH1A1GAAEDNRBEDNRASMN1; SMN2
Cadaverine Tartrate SCHEMBL5873445 0.65 PRCP (0.47) ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL4879031 0.64 KIF11 (0.39) EDNRBEDNRAKIF11
SCHEMBL4630185 0.63 HDAC9 (0.40) HTR2AEDNRBEDNRAKIF11
SCHEMBL1695321 0.63 HDAC9 (0.40) HTR2AEDNRBEDNRAKIF11
SCHEMBL8558452 0.63 HTR2A (0.47) HTR2AHTR2CALDH1A1KDM4EMAPT

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-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US disclosed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US disclosed