SCHEMBL3407215

SCHEMBL3407215

O=CCc1ncc(Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.33
NPC1 O15118 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
SCHEMBL5883346 0.77 ALDH1A1 (0.37) ALDH1A1KDM4E
SCHEMBL1763464 0.76 NPC1 (0.38) KDM4ENPC1
SCHEMBL29956303 0.76 L3MBTL1 (0.32) KDM4E
SCHEMBL20188976 0.76 MAPT (0.32) KDM4E
SCHEMBL3922703 0.76 APLNR (0.44) ALDH1A1
SCHEMBL24259322 0.73 ALDH1A1 (0.34) ALDH1A1KDM4ETSHR
SCHEMBL622632 0.72
SCHEMBL29600434 0.71 GBA1 (0.41) ALDH1A1KDM4ETSHRNPC1
SCHEMBL622260 0.71 GBA1 (0.41) ALDH1A1KDM4ETSHRNPC1
SCHEMBL28559274 0.71 ADH1B (0.38) ALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541792-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR Amgen Inc. (US) 2019-09-25 EP disclosed
WO-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 WO disclosed
EP-3126365-A1 MACROCYLIC PYRIDINE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2017-02-08 EP disclosed
WO-2015150557-A1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-10-08 WO disclosed
EP-2906549-A2 CYCLIC AMINES H. Lundbeck A/S (DK) 2015-08-19 EP disclosed
WO-2014057080-A2 CYCLIC AMINES H. LUNDBECK A/S (DK) 2014-04-17 WO disclosed
EP-2260030-A2 2-ALKYNYL-6-PYRIDIN-2-YL-PYRIDAZINONES, 2-ALKYNYL-6-PYRIDIN-2-YL-DIHYDROPYRIDAZINONES, 2-ALKYNYL-6-PYRIMIDIN-2-YL-PYRIDAZINONES AND 2-ALKYNYL-6-PYRIMIDIN-2-YL-DIHYDROPYRIDAZINONES AND THEIR USE AS FUNGICIDES Dow AgroSciences LLC (US) 2010-12-15 EP disclosed
WO-2009126672-A2 2-ALKYNYL-6-PYRIDIN-2-YL-PYRIDAZINONES, 2-ALKYNYL-6-PYRIDIN-2-YL-DIHYDROPYRIDAZINONES, 2-ALKYNYL-6-PYRIMIDIN-2-YL-PYRIDAZINONES AND 2-ALKYNYL-6-PYRIMIDIN-2-YL-DIHYDROPYRIDAZINONES AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2009-10-15 WO disclosed