SCHEMBL5675723

SCHEMBL5675723

COc1cccc(CN(C)C)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 2/20 0.54
SLC6A2 P23975 3/20 0.53
SLC6A4 P31645 3/20 0.53
SLC6A3 Q01959 2/20 0.53
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
BCHE P06276 2/20 0.47
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
CRHBP P24387 1/20 0.46

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
SCHEMBL6767194 0.84 HTR7 (0.50) SLC6A2SLC6A4SLC6A3SMN1; SMN2KDM4E
SCHEMBL735118 0.82 SLC6A4 (0.68) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL9172783 0.81 SLC6A4 (0.53) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL3306584 0.79 SMN1; SMN2 (0.54) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL19694733 0.79 IDO1 (0.57) MEN1KMT2AALDH1A1GAASLC6A2
SCHEMBL5343889 0.78 SLC6A4 (0.50) MEN1KMT2AALDH1A1SLC6A2SLC6A4
SCHEMBL5340091 0.78 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL464374 0.78 CA12 (0.54) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL11226646 0.77 CA12 (0.54) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL3898720 0.76 SMN1; SMN2 (0.50) MEN1KMT2AALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001973-B2 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2006-02-21 US claimed
US-20030187178-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2003-10-02 US claimed
US-6613863-B2 Benzyltrialkylammonium carboxylate isocyanate trimerization catalysts DEGUSSA AG (DE) 2003-09-02 US claimed
US-20020120089-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2002-08-29 US claimed
US-7001973-B2 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2006-02-21 US disclosed
EP-1229016-B1 Catalyst and process for the preparation of isocyanate groups containing polyisocyanates with low viscosity and reduced colour DEGUSSA (DE) 2006-01-11 EP disclosed
EP-1085030-B1 Catalyst and process for preparing polyisocyanates having isocyanurate groups and low colouring DEGUSSA (DE) 2005-05-18 EP disclosed
US-6800714-B2 TRIMERIZING A DIISOCYANATE IN THE PRESENCE OF QUATERNARY AMMONIUM HYDROXIDES OR ESTERS DEGUSSA AG (DE) 2004-10-05 US disclosed
US-20030187178-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2003-10-02 US disclosed
US-6613863-B2 Benzyltrialkylammonium carboxylate isocyanate trimerization catalysts DEGUSSA AG (DE) 2003-09-02 US disclosed
US-20030158368-A1 Catalyst and process for preparing color-reduced polyisocyanates containing isocyanurate groups DEGUSA AG (DE) 2003-08-21 US disclosed
US-20030153714-A1 Catalyst and process for preparing color-reduced polyisocyanates containing isocyanurate groups DEGUSA AG (DE) 2003-08-14 US disclosed
US-6552154-B1 Trimerizing at least one diisocyanate in presence of such as N-(2-hydroxypropyl)-N,N-dimethyl-N-(3-methoxybenzyl)ammonium 2-ethylhexanoate DEGUSSA AG (DE) 2003-04-22 US disclosed
US-20020120089-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2002-08-29 US disclosed
EP-1229016-A2 Catalyst and process for the preparation of isocyanate groups containing polyisocyanates with low viscosity and reduced colour Degussa AG (DE) 2002-08-07 EP disclosed
EP-1085030-A2 Catalyst and process for preparing polyisocyanates having isocyanurate groups and low colouring Degussa-Hüls Aktiengesellschaft (DE) 2001-03-21 EP disclosed