SCHEMBL2512424

SCHEMBL2512424

O=S(=O)(Nc1ccccc1)N1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.69
KMT2A Q03164 4/20 0.69
GLA P06280 1/20 0.69
ALDH1A1 P00352 5/20 0.57
LMNA P02545 3/20 0.57
MAPK1 P28482 2/20 0.57
HTT P42858 2/20 0.57
HPGD P15428 5/20 0.55
KDM4E B2RXH2 3/20 0.55
MEN1 O00255 3/20 0.55
HSD17B10 Q99714 2/20 0.55
TP53 P04637 2/20 0.55
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL7839074 0.98 FKBP1A (0.66) FKBP1AKMT2AGLAALDH1A1LMNA
SCHEMBL31634201 0.85 HPGD (0.72) FKBP1AKMT2AGLAALDH1A1LMNA
SCHEMBL1853129 0.81 POLB (0.71) FKBP1AKMT2AGLAALDH1A1LMNA
SCHEMBL28210752 0.81 KEAP1 (0.52) FKBP1AKMT2AGLAALDH1A1HTT
SCHEMBL4001428 0.81 POLB (0.56) FKBP1AKMT2AGLAALDH1A1LMNA
SCHEMBL30916886 0.81 FKBP1A (0.47) FKBP1AKMT2AGLAALDH1A1LMNA
SCHEMBL4710815 0.81 HTR6 (0.51) FKBP1AKMT2AGLA
SCHEMBL18424892 0.80 FKBP1A (0.46) FKBP1AKMT2AGLAALDH1A1LMNA
SCHEMBL31634176 0.78 FKBP1A (0.55) FKBP1AKMT2AGLAALDH1A1LMNA
SCHEMBL10192123 0.78 FKBP1A (0.64) FKBP1AKMT2AGLAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4121031-A1 3-DIARYLMETHYLENES AND USES THEREOF Atux Iskay LLC (US) 2023-01-25 EP disclosed
WO-2021188949-A1 3-DIARYLMETHYLENES AND USES THEREOF ATUX ISKAY LLC (US) 2021-09-23 WO disclosed
WO-2019079706-A1 AMINOGLYCOSIDE ANTIBIOTICS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-04-25 WO disclosed
CN-105001278-B A kind of synthetic method of Fondaparinux sodium disaccharides intermediate fragments 天津红日药业股份有限公司 2018-07-06 CN disclosed
EP-3004060-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2016-04-13 EP disclosed
CN-105001278-A Synthesis method for fondaparinux sodium disaccharide intermediate segment TIANJIN CHASESUN PHARM CO LTD 2015-10-28 CN disclosed
WO-2014194127-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-12-04 WO disclosed
EP-2376454-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-10-19 EP disclosed
WO-2010059611-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 WO disclosed
EP-2041085-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-04-01 EP disclosed
WO-2008002974-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-01-03 WO disclosed
US-6964974-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-11-15 US disclosed