SCHEMBL2836682

SCHEMBL2836682

CN(C/C=C/C(=O)O)CCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
GABRR1 P24046 2/20 0.38
GABRR2 P28476 2/20 0.38
BLM P54132 2/20 0.38
GABRR3 A8MPY1 1/20 0.38
LMNA P02545 1/20 0.38
APEX1 P27695 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL2836684 1.00 TSHR (0.38) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL16351759 0.83 TSHR (0.38) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL20327301 0.83 MAPT (0.33) MAPTEGFRERBB2
Maleic Acid SCHEMBL28360588 0.82 TSHR (0.45) TSHRGABRR1GABRR2BLMGABRR3
Maleic Acid SCHEMBL28360589 0.82 TSHR (0.45) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL16653813 0.82 MAPT (0.32) MAPTEGFRERBB2
SCHEMBL2025199 0.82 TSHR (0.41) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL2025198 0.82 TSHR (0.41) TSHRGABRR1GABRR2BLMGABRR3
Hydrochloric Acid SCHEMBL3391031 0.82 GABRR1 (0.37) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL23735713 0.80 ALDH1A1 (0.32) TSHRALDH1A1MAPTEGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253620-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2010-11-24 EP claimed
EP-1950201-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2008-07-30 EP claimed
EP-1117649-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP claimed
WO-2000018740-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO claimed
EP-4519265-A1 IRREVERSIBLE MUTEGFR INHIBITORS Bayer Aktiengesellschaft (DE) 2025-03-12 EP disclosed
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 WO disclosed
EP-2896612-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings LLC (US) 2015-07-22 EP disclosed
EP-2253620-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH HOLDINGS LLC (US) 2014-03-12 EP disclosed
EP-2253620-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2010-11-24 EP disclosed