SCHEMBL2010850

SCHEMBL2010850

ONc1ccccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.52
FABP4 P15090 1/20 0.52
FABP5 Q01469 1/20 0.52
ALDH1A1 P00352 6/20 0.48
HPGD P15428 3/20 0.48
MEN1 O00255 1/20 0.48
CYP2C9 P11712 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 2/20 0.48
BCL2L1 Q07817 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL14302570 0.84 ABL1 (0.52) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL29574036 0.79 FABP3 (0.67) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL2437912 0.79 FABP3 (0.67) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL5672785 0.78 ALDH1A1 (0.48) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL13618709 0.78 TRPV1 (0.44) ALDH1A1MEN1KMT2AHDAC1L3MBTL1
SCHEMBL15605284 0.77 FABP3 (0.64) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL11957892 0.76 ALDH1A1 (0.57) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL24205927 0.75 FABP3 (0.47) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL7447324 0.75 FABP3 (0.47) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL4888234 0.75 ALDH1A1 (0.48) FABP3FABP4FABP5ALDH1A1HPGD

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-113056529-A Radiation curable inkjet inks for the manufacture of printed circuit boards 爱克发-格法特公司 2021-06-29 CN disclosed
EP-2509954-A1 4 -OXO- 1H -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2012-10-17 EP disclosed
WO-2011072241-A1 4 -OXO- IH -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-16 WO disclosed
US-6797497-B1 USED TO BREAKDOWN ORGANIC COMPOUNDS INTO MORE CELL BIOMASS AND LESS COMPLEX COMPOUNDS USING HYDROXYLAMINOBENZENE MUTASE; COMPRISES NITROREDUCTASES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2004-09-28 US disclosed