SCHEMBL4803159

SCHEMBL4803159

Cc1ccc(Nc2ccc(C3(c4ccc(Nc5ccc(C)cc5)cc4)C=CCCC3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
GAA P10253 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
G6PD P11413 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR2B P41595 1/20 0.35
MAPT P10636 3/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
AVPR1A P37288 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
HTR1E P28566 1/20 0.32
S1PR3 Q99500 1/20 0.32
EGFR P00533 1/20 0.32
APP P05067 1/20 0.31
FKBP1A P62942 1/20 0.31

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
SCHEMBL9104787 0.72 ALDH1A1 (0.45) GAAKMT2AMEN1L3MBTL1MAPT
SCHEMBL5598119 0.72 ESR2 (0.47) HPGDKMT2AMEN1MAPTNPC1
SCHEMBL27184907 0.71 DPP4 (0.36)
SCHEMBL2046010 0.70 MAPT (0.51) HPGDGAAKMT2AMEN1G6PD
SCHEMBL11132363 0.68 ESR1 (0.56) HPGDKMT2AMEN1G6PDL3MBTL1
SCHEMBL9516537 0.67 HPGD (0.78) HPGDGAAKMT2AMEN1G6PD
SCHEMBL50079 0.67 HPGD (0.78) HPGDGAAKMT2AMEN1G6PD
SCHEMBL108881 0.67 HPGD (0.78) HPGDGAAKMT2AMEN1G6PD
SCHEMBL29418154 0.66 ESR2 (0.52) L3MBTL1
SCHEMBL27475823 0.66 KMT2A (0.32) KMT2ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459251-B2 Imaging member XEROX CORPORATION (US) 2008-12-02 US disclosed
US-20070141491-A1 Imaging member XEROX CORPORATION 2007-06-21 US disclosed