SCHEMBL2470122

SCHEMBL2470122

O=S(=O)(NCC1CC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 1.00
ALDH1A1 P00352 4/20 0.73
PKM P14618 1/20 0.73
CTSL P07711 2/20 0.62
CTSB P07858 2/20 0.62
CTSK P43235 2/20 0.62
PARG Q86W56 1/20 0.62
KMT2A Q03164 8/20 0.62
MEN1 O00255 7/20 0.62
POLB P06746 2/20 0.62
CYP2C9 P11712 1/20 0.59
KEAP1 Q14145 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL8394068 0.93 GBA1 (0.86) GBA1ALDH1A1PKMCTSLCTSB
SCHEMBL3811045 0.93 GBA1 (0.86) GBA1ALDH1A1PKMCTSLCTSB
SCHEMBL14606609 0.92 GBA1 (0.84) GBA1ALDH1A1PKMCTSLCTSB
SCHEMBL4979102 0.92 GBA1 (0.84) GBA1ALDH1A1PKMCTSLCTSB
SCHEMBL8396377 0.91 GBA1 (0.83) GBA1ALDH1A1PKMCTSLCTSB
SCHEMBL7886816 0.91 GBA1 (0.83) GBA1ALDH1A1PKMCTSLCTSB
SCHEMBL5205575 0.89 GBA1 (0.79) GBA1ALDH1A1PKMKMT2AMEN1
SCHEMBL3851236 0.89 GBA1 (0.79) GBA1ALDH1A1PKMKMT2AMEN1
SCHEMBL13543087 0.88 GBA1 (0.78) GBA1ALDH1A1PKMCTSLCTSB
SCHEMBL9834675 0.88 GBA1 (0.78) GBA1ALDH1A1PKMCTSLCTSB

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-2976340-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-27 EP claimed
WO-2014146490-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO claimed
CN-104114543-B Therapeutically active compounds and methods of use thereof 安吉奥斯医药品有限公司 2019-03-15 CN disclosed
CN-108912066-A Therapeutical active compound and its application method 安吉奥斯医药品有限公司 2018-11-30 CN disclosed
CN-107417667-A Therapeutical active compound and its application method 安吉奥斯医药品有限公司 2017-12-01 CN disclosed
EP-2976340-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-27 EP disclosed
WO-2014146490-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO disclosed
WO-2014035872-A1 TRICYCLIC ALKYNES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN AMGEN INC. (US) 2014-03-06 WO disclosed
EP-2488630-A1 INDUCTION OF PLURIPOTENT CELLS The Scripps Research Institute (US) 2012-08-22 EP disclosed
EP-2370445-A1 STEM CELL CULTURES The Scripps Research Institute (US) 2011-10-05 EP disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed