SCHEMBL15959652

SCHEMBL15959652

COc1ccccc1C1CN=C(C)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.49
HTR2C P28335 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
KLK7 P49862 4/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9378595 0.69 HTR2C (0.46) HTR2CL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL27545986 0.68 L3MBTL1 (0.47) HTR2CL3MBTL1POLBKDM4EALDH1A1
SCHEMBL16796888 0.68 L3MBTL1 (0.54) HTR2CL3MBTL1POLBKDM4EALDH1A1
SCHEMBL20323476 0.68 HTR2C (0.49) HTR2CL3MBTL1POLBKDM4EALDH1A1
SCHEMBL23323077 0.67 MEN1 (0.65) HTR2CMEN1KMT2A
SCHEMBL469013 0.67 MEN1 (0.65) HTR2CMEN1KMT2A
SCHEMBL29589447 0.67 MEN1 (0.65) HTR2CMEN1KMT2A
SCHEMBL1438817 0.67 CYP19A1 (0.49) HTR2CL3MBTL1POLBKDM4EALDH1A1
SCHEMBL29144899 0.67 CYP19A1 (0.49) HTR2CL3MBTL1POLBKDM4EALDH1A1
SCHEMBL2666926 0.67 MAOA (0.44) GRIN2BHTR2CL3MBTL1POLBALDH1A1

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-9228061-B2 Zirconium containing complex and condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2016-01-05 US disclosed
US-20150152301-A1 Copper Containing Complex, Condensation Reaction Compositions Containing the Complex, and Methods for the Preparation and Use of the Compositions DOW CORNING CORPORATION (US) 2015-06-04 US disclosed
US-20140235812-A1 Zirconium Containing Complex and Condensation Reaction Catalysts, Methods for Preparing the Catalysts, and Compositions Containing the Catalysts DOW CORNING CORPORATION (US) 2014-08-21 US disclosed