SCHEMBL2012242

SCHEMBL2012242

Fc1ccc(-c2[c]cccc2Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.33
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGS2 P35354 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS1 P23219 1/20 0.30
TXN P10599 1/20 0.30
TYMP P19971 1/20 0.30

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
SCHEMBL435757 0.83 CYP1A2 (0.41) LMNATSHRNPC1TP53RAB9A
SCHEMBL2015118 0.82 MAPK1 (0.30) MAPK1
SCHEMBL4790399 0.81 CYP2A6 (0.44) SMN1; SMN2LMNATSHRNPC1TP53
SCHEMBL5899212 0.80 HPGD (0.35) NPC1RAB9AHSD17B10MEN1KMT2A
SCHEMBL10563187 0.79 KIF11 (0.44) TSHRKMT2A
SCHEMBL2013348 0.79 TAAR1 (0.39) PTGS2MEN1KMT2A
SCHEMBL2428030 0.79 HSD17B1 (0.33) MAPK1NPC1RAB9APTGS2PTGS1
SCHEMBL150096 0.79 MAOB (0.32) NPC1RAB9A
SCHEMBL5198262 0.79 PTGS2 (0.33) MAPK1TP53PTGS2PTGS1
SCHEMBL5014600 0.78 PTGS2 (0.39) SMN1; SMN2NPC1RAB9APTGS2PTGS1

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
WO-2013182433-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2013-12-12 WO disclosed
EP-2547687-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2013-01-23 EP disclosed
EP-2513067-A1 METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF BASF SE (DE) 2012-10-24 EP disclosed
WO-2011113820-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2011-09-22 WO disclosed
WO-2011073145-A1 METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF BASF SE (DE) 2011-06-23 WO disclosed
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed
US-5120848-A Anticholesterol and antilipemic agents; hydroxy-3-methylglutaryl/3-/ coenzyme A reductase inhibitors GLAXO GROUP LIMITED (GB) 1992-06-09 US disclosed
US-5013749-A Imidazole derivatives and their use as hypercholesterolemia and hyperlipoproteinemia agents GLAXO GROUP LIMITED (GB) 1991-05-07 US disclosed