SCHEMBL439991

SCHEMBL439991

C(=Nc1ccccc1Cc1ccccc1)=Nc1ccccc1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.44
HTR2A P28223 1/20 0.44
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
CYP2C9 P11712 1/20 0.38
CTRC Q99895 1/20 0.38
SLC22A2 O15244 1/20 0.37
ALOX5 P09917 1/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KEAP1 Q14145 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL9742015 0.87 CYP3A4 (0.44) CALM1HTR2ABCL2BCL2L1CYP2C9
SCHEMBL6605569 0.84 ALDH1A1 (0.44) CALM1HTR2ABCL2BCL2L1ALOX5
SCHEMBL10456439 0.84 HTR2A (0.41) CALM1HTR2ABCL2BCL2L1CYP2C9
SCHEMBL510928 0.84 CYP3A4 (0.44) CALM1HTR2ABCL2BCL2L1CYP2C9
SCHEMBL678579 0.80 CALM1 (0.50) CALM1HTR2ABCL2BCL2L1ALOX5
Methane SCHEMBL17504404 0.78 CYP3A4 (0.39) CALM1HTR2ABCL2BCL2L1CYP2C9
SCHEMBL16628654 0.78 CYP3A4 (0.45) HPGDCYP3A4
SCHEMBL29100459 0.78 ALDH1A1 (0.48) CALM1HTR2ABCL2BCL2L1CYP2C9
SCHEMBL30539482 0.78 ALDH1A1 (0.48) CALM1HTR2ABCL2BCL2L1CYP2C9
SCHEMBL28576503 0.78 CYP3A4 (0.50) CALM1HTR2ABCL2BCL2L1KEAP1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247156-B2 Processes for producing polyester latexes with improved hydrolytic stability XEROX CORPORATION (US) 2012-08-21 US claimed
US-20120064453-A1 PROCESSES FOR PRODUCING POLYESTER LATEXES WITH IMPROVED HYDROLYTIC STABILITY XEROX CORPORATION (US) 2012-03-15 US claimed
US-9719011-B2 Proppant BASF SE (DE) 2017-08-01 US disclosed
US-9714378-B2 Proppant BASF SE (DE) 2017-07-25 US disclosed
EP-2705009-B1 AN ENCAPSULATED PARTICLE BASF SE (DE) 2017-03-08 EP disclosed
EP-2705010-B1 A DUST SUPPRESSING AGGREGATE BASF SE (DE) 2016-12-07 EP disclosed
US-9353020-B2 Dust suppressing aggregate BASF SE (DE) 2016-05-31 US disclosed
US-20150315458-A1 A Proppant BASF SE (DE) 2015-11-05 US disclosed
EP-2931831-A1 A PROPPANT BASF SE (DE) 2015-10-21 EP disclosed
US-9085495-B2 Encapsulated particle BASF SE (DE) 2015-07-21 US disclosed
WO-2014093229-A1 A PROPPANT BASF SE (DE) 2014-06-19 WO disclosed
WO-2012151530-A1 A DUST SUPPRESSING AGGREGATE BASF SE (DE) 2012-11-08 WO disclosed
WO-2012151506-A1 AN ENCAPSULATED PARTICLE BASF SE (DE) 2012-11-08 WO disclosed
WO-2012151091-A1 A PROPPANT BASF SE (DE) 2012-11-08 WO disclosed
US-8247156-B2 Processes for producing polyester latexes with improved hydrolytic stability XEROX CORPORATION (US) 2012-08-21 US disclosed
WO-2012104190-A1 A PROPPANT BASF SE (DE) 2012-08-09 WO disclosed
US-20120064453-A1 PROCESSES FOR PRODUCING POLYESTER LATEXES WITH IMPROVED HYDROLYTIC STABILITY XEROX CORPORATION (US) 2012-03-15 US disclosed
EP-2350228-A1 A PROPPANT BASF SE (DE) 2011-08-03 EP disclosed
WO-2010049467-A1 A PROPPANT BASF SE (DE) 2010-05-06 WO disclosed
US-4113676-A Aqueous dispersions of esters stabilized with carbodiimides PPG INDUSTRIES, INC. (US) 1978-09-12 US disclosed