SCHEMBL7717703

SCHEMBL7717703

Cc1cccc(-c2ccccc2Nc2ccc(C=O)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.41
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
PLA2G1B P04054 1/20 0.38
KMT2A Q03164 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CHRM3 P20309 6/20 0.38
GAA P10253 2/20 0.37
CYP2A6 P11509 1/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7716047 0.89 NPSR1 (0.41) MAPK14MAPK13MAPK12MAPK11NPSR1
SCHEMBL7717151 0.89 NPSR1 (0.41) MAPK14MAPK13MAPK12MAPK11NPSR1
SCHEMBL7877481 0.86 TDP1 (0.44) MAPK14MAPK13MAPK12MAPK11NPSR1
SCHEMBL130522 0.85 NPSR1 (0.46) MAPK14MAPK13MAPK12MAPK11NPSR1
SCHEMBL17246941 0.84 NPSR1 (0.56) NPSR1ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL1505781 0.82 NPSR1 (0.43) MAPK14MAPK13MAPK12MAPK11NPSR1
SCHEMBL332285 0.82 NPSR1 (0.44) NPSR1ALDH1A1L3MBTL1MEN1LMNA
SCHEMBL7865722 0.81 MAPT (0.44) MAPK14MAPK13MAPK12MAPK11NPSR1
SCHEMBL1492925 0.80 NPSR1 (0.41) MAPK14MAPK13MAPK12MAPK11NPSR1
SCHEMBL6081498 0.80 NPSR1 (0.41) MAPK14MAPK13MAPK12MAPK11NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8197722-B2 Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-06-12 US disclosed
US-20020185634-A1 Two-photon or higher-order absorbing optical materials and methods of use CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-12-12 US disclosed
US-6267913-B1 IN HOLOGRAPHYL, BIOLOGY, OPTICAL DATA STORAGE CALIFORNIA INSTITUTE OF TECHNOLOGY 2001-07-31 US disclosed
WO-1998021521-A9 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS AND METHODS OF USE CALIFORNIA INST OF TECHN (US) 2000-03-02 WO disclosed
WO-1998021521-A1 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS AND METHODS OF USE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-05-22 WO disclosed