SCHEMBL5954738

SCHEMBL5954738

CCOCNc1nc(NCOCC)nc(NCOCC)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CYP1A2 P05177 4/20 0.36
CYP2C19 P33261 3/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.33
MCL1 Q07820 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL17915969 0.89 TLR8 (0.36) LMNACYP1A2CYP2C19SMN1; SMN2GAA
SCHEMBL4060579 0.85 TSHR (0.40) LMNACYP1A2CYP2C19SMN1; SMN2GAA
SCHEMBL963512 0.84 TLR8 (0.36) LMNASMN1; SMN2GAAHTTMAPK1
SCHEMBL5341793 0.82 MEN1 (0.33) LMNACYP1A2CYP2C19ALOX15GAA
SCHEMBL21905170 0.82 CYP1A2 (0.38) LMNACYP1A2CYP2C19GAAL3MBTL1
SCHEMBL13241905 0.80 CYP1A2 (0.38) LMNACYP1A2CYP2C19SMN1; SMN2GAA
SCHEMBL13241908 0.80 IDH1 (0.50) LMNACYP1A2CYP2C19SMN1; SMN2L3MBTL1
Hexane SCHEMBL11397490 0.78 TLR8 (0.42) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL21905158 0.78 CYP1A2 (0.34) CYP1A2CYP2C19GAAL3MBTL1
Lindane SCHEMBL1672734 0.77 NPC1 (0.32) LMNASMN1; SMN2HTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3737684-B1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2022-11-16 EP disclosed
EP-1521805-B1 AMINOPLAST MOLDING COMPOUNDS FOR PRODUCTS EXHIBITING AN IMPROVED FLEXIBILITY AND AMINOPLAST PRODUCTS EXHIBITING AN IMPROVED FLEXIBILITY BOREALIS AGROLINZ MELAMINE (AT) 2014-05-21 EP disclosed
US-20100183978-A1 SURFACE-TREATING AGENT FOR PATTERN FORMATION AND PATTERN FORMING METHOD USING THE TREATING AGENT FUJIFILM CORPORATION (JP) 2010-07-22 US disclosed
US-20100183978-A1 SURFACE-TREATING AGENT FOR PATTERN FORMATION AND PATTERN FORMING METHOD USING THE TREATING AGENT FUJIFILM CORPORATION (JP) 2010-07-22 US disclosed
US-20060100317-A1 Aminoplast molding compounds for products exhibiting an improved flexibility and aminoplast products exhibiting and improved flexibility AMI - AGROLINZ MELAMINE INTERNATIONAL GMBH (AT) 2006-05-11 US disclosed
EP-1521805-A1 AMINOPLAST MOLDING COMPOUNDS FOR PRODUCTS EXHIBITING AN IMPROVED FLEXIBILITY AND AMINOPLAST PRODUCTS EXHIBITING AN IMPROVED FLEXIBILITY AMI - Agrolinz Melamine International GmbH (AT) 2005-04-13 EP disclosed
WO-2003106558-A1 AMINOPLAST MOLDING COMPOUNDS FOR PRODUCTS EXHIBITING AN IMPROVED FLEXIBILITY AND AMINOPLAST PRODUCTS EXHIBITING AN IMPROVED FLEXIBILITY AGROLINZ MELAMIN GMBH (AT) 2003-12-24 WO disclosed