SCHEMBL5031180

SCHEMBL5031180

NCCNC(=O)/C=C\C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
DDAH1 O94760 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
TAAR1 Q96RJ0 3/20 0.35
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ESR1 P03372 2/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 1/20 0.33
MCL1 Q07820 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
BLM P54132 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
SCHEMBL5053873 1.00 ALDH1A1 (0.36) ALDH1A1DDAH1MAPTHTTTAAR1
SCHEMBL15431338 0.82 ALDH1A1 (0.52) ALDH1A1TAAR1CYP2C19TSHRLMNA
SCHEMBL10064964 0.82 ALDH1A1 (0.52) ALDH1A1TAAR1CYP2C19TSHRLMNA
SCHEMBL5028645 0.82 ALDH1A1 (0.38) ALDH1A1DDAH1MAPTHTTTAAR1
SCHEMBL5055232 0.82 ALDH1A1 (0.38) ALDH1A1DDAH1MAPTHTTTAAR1
SCHEMBL5175940 0.82 ALDH1A1 (0.38) ALDH1A1DDAH1MAPTHTTTAAR1
SCHEMBL12417776 0.80 PAOX (0.38) ALDH1A1TAAR1CYP2C9HPGDALOX15
SCHEMBL21468391 0.80 ALDH1A1 (0.34) ALDH1A1MAPTTAAR1CYP2C9HPGD
SCHEMBL8411543 0.80 ALDH1A1 (0.35) ALDH1A1DDAH1MAPTHTTTAAR1
SCHEMBL380975 0.80 ALDH1A1 (0.44) ALDH1A1DDAH1MAPTHTTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902310-B2 Use as additives for inorganic binding agent suspensions based on cement, lime, gypsum and anhydrite; improve processing and setting processes of building materials produced with these additives by making possible earlier and higher resistances to pressure CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2011-03-08 US disclosed
EP-1883662-B1 COPOLYMERS BASE ON PHOSPHOROUS-CONTAINING MONOMERS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE CONSTR RES & TECH GMBH (DE) 2008-11-05 EP disclosed
US-20080125520-A1 Copolymers Base on Phosphorous-Containing Monomers, Methods for the Production Thereof and Their Use CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2008-05-29 US disclosed
EP-1883662-A1 COPOLYMERS BASE ON PHOSPHOROUS-CONTAINING MONOMERS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE Construction Research and Technology GmbH (DE) 2008-02-06 EP disclosed
WO-2006122793-A1 COPOLYMERS BASE ON PHOSPHOROUS-CONTAINING MONOMERS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2006-11-23 WO disclosed