SCHEMBL438440

SCHEMBL438440

N#Cc1ccccc1N=C=Nc1ccccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ESR2 Q92731 1/20 0.36
MAP2K1 Q02750 1/20 0.36
PDK2 Q15119 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MCL1 Q07820 1/20 0.34

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
SCHEMBL28056618 0.92 LMNA (0.41) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL2482764 0.82 ALDH1A1 (0.53) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL136118 0.82 CYP3A4 (0.54) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL29463358 0.82 CYP3A4 (0.54) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL16620593 0.81 LMNA (0.46) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL4456223 0.80 SMN1; SMN2 (0.56) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL4091682 0.80 LMNA (0.48) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL31473075 0.80 SMN1; SMN2 (0.56) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL3767157 0.78 LMNA (0.47) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL20562561 0.77 HTR3E (0.52) LMNATSHRALDH1A1SMN1; SMN2MEN1

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-2012151506-A1 AN ENCAPSULATED PARTICLE BASF SE (DE) 2012-11-08 WO disclosed
WO-2012151530-A1 A DUST SUPPRESSING AGGREGATE 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