SCHEMBL166497

SCHEMBL166497

S=C(S)c1ccccc1CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
ADRB2 P07550 1/20 0.51
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FOLH1 Q04609 1/20 0.43
SCN1A P35498 3/20 0.42
SCN2A Q99250 3/20 0.42
SCN3A Q9NY46 3/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6270999 0.82 TSHR (0.49) ALDH1A1MAPTTSHRFOLH1SCN1A
SCHEMBL7900744 0.81 KMT2A (0.55) ALDH1A1ADRB2KMT2AHTTMAPT
Thiobenzoic Acid SCHEMBL28348944 0.79 ALDH1A1 (0.50) ALDH1A1ADRB2KMT2AHTTMAPT
SCHEMBL28293863 0.78 FOLH1 (0.40) ALDH1A1KMT2AHTTLMNAFOLH1
SCHEMBL29975597 0.76 FOLH1 (0.66) ALDH1A1ADRB2KMT2AHTTMAPT
SCHEMBL166927 0.76 FOLH1 (0.66) ALDH1A1ADRB2KMT2AHTTMAPT
SCHEMBL14609957 0.76 ALDH1A1 (0.54) ALDH1A1ADRB2KMT2AHTTMAPT
SCHEMBL28403638 0.76 ALDH1A1 (0.64) ALDH1A1ADRB2KMT2AHTTMAPT
SCHEMBL10976252 0.76 LMNA (0.55) ALDH1A1ADRB2KMT2AHTTMAPT
SCHEMBL7085183 0.76 LIPG (0.44) ALDH1A1HTTLMNATSHRL3MBTL1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2478021-B1 Nitrile rubbers and production of same in organic solvents LANXESS DEUTSCHLAND GMBH (DE) 2015-11-04 EP claimed
EP-2739661-A1 PROCESS FOR PRODUCING NITRILE RUBBERS IN ORGANIC SOLVENTS LANXESS Deutschland GmbH (DE) 2014-06-11 EP claimed
EP-2611843-A1 METHOD FOR PRODUCING NITRILE RUBBERS IN ORGANIC SOLVENTS Lanxess Deutschland GmbH (DE) 2013-07-10 EP claimed
WO-2013017610-A1 PROCESS FOR PRODUCING NITRILE RUBBERS IN ORGANIC SOLVENTS LANXESS DEUTSCHLAND GMBH (DE) 2013-02-07 WO claimed
EP-2554558-A1 Method for producing nitrile rubbers in organic solvents Lanxess Deutschland GmbH (DE) 2013-02-06 EP claimed
WO-2012028501-A1 METHOD FOR PRODUCING NITRILE RUBBERS IN ORGANIC SOLVENTS LANXESS DEUTSCHLAND GMBH (DE) 2012-03-08 WO claimed
EP-2423238-A1 Method for producing nitrile rubbers in organic solvents LANXESS Deutschland GmbH (DE) 2012-02-29 EP claimed
EP-2385074-A1 Nitrile rubbers and production of same in organic solvents LANXESS Deutschland GmbH (DE) 2011-11-09 EP claimed
US-8038675-B2 Apparatus for arrhythmia treatment based on spectral mapping during sinus rhythm ST. JUDE MEDICAL, ATRIAL FIBRILLATION DIVISION, INC. (US) 2011-10-18 US claimed
EP-2298824-A1 Nitrile rubbers and production of same in organic solvents LANXESS Deutschland GmbH (DE) 2011-03-23 EP claimed
EP-2478021-B1 Nitrile rubbers and production of same in organic solvents LANXESS DEUTSCHLAND GMBH (DE) 2015-11-04 EP disclosed
EP-2810956-A1 Nitrile rubbers coupled with bisdihydropyrazole groups, production and use of the same LANXESS Deutschland GmbH (DE) 2014-12-10 EP disclosed
EP-2810957-A1 Nitrile rubbers coupled with bisdihydropyrazole groups, production and use of the same LANXESS Deutschland GmbH (DE) 2014-12-10 EP disclosed
EP-2798001-A1 METHOD FOR PRODUCING PURIFIED NITRILE RUBBERS LANXESS Deutschland GmbH (DE) 2014-11-05 EP disclosed
EP-2739661-A1 PROCESS FOR PRODUCING NITRILE RUBBERS IN ORGANIC SOLVENTS LANXESS Deutschland GmbH (DE) 2014-06-11 EP disclosed
EP-2385074-A1 Nitrile rubbers and production of same in organic solvents LANXESS Deutschland GmbH (DE) 2011-11-09 EP disclosed
US-8038675-B2 Apparatus for arrhythmia treatment based on spectral mapping during sinus rhythm ST. JUDE MEDICAL, ATRIAL FIBRILLATION DIVISION, INC. (US) 2011-10-18 US disclosed
WO-2011032832-A1 NITRILE RUBBERS AND PRODUCTION THEREOF IN ORGANIC SOLVENTS LANXESS DEUTSCHLAND GMBH (DE) 2011-03-24 WO disclosed
EP-2298824-A1 Nitrile rubbers and production of same in organic solvents LANXESS Deutschland GmbH (DE) 2011-03-23 EP disclosed
US-20090233817-A1 Methods for Testing the Effect of Polymer Additives on Wax Deposition from Crude Oils and Reducing Wax Deposition from Crude Oil During Pipeline Transmission KRIEGEL ROBERT M 2009-09-17 US disclosed