SCHEMBL6307398

SCHEMBL6307398

N#CC(c1ccccc1)c1ccccc1.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
TRPA1 O75762 1/20 0.54
ALDH1A1 P00352 7/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 3/20 0.53
HPGD P15428 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
USP2 O75604 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C1 Q04828 1/20 0.53
ALPG P10696 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.40
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL181005 0.97 TSHR (0.56) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL13198785 0.94 ALDH1A1 (0.58) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL27539023 0.94 TSHR (0.54) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL909586 0.94 TSHR (0.54) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
Acetonitrile SCHEMBL28159901 0.90 ALDH1A1 (0.55) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL28381532 0.87 ALDH1A1 (0.49) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL9447402 0.84 ALDH1A1 (0.54) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5164828 0.84 L3MBTL1 (0.56) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5773518 0.84 ALDH1A1 (0.50) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5052368 0.84 ALDH1A1 (0.74) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6972270-B2 Catalyst modifiers and their use in the polymerization of olefin(s) UNIVATION TECHNOLOGIES, LLC (US) 2005-12-06 US disclosed
US-6960549-B2 Catalyst modifiers and their use in the polymerization of olefin(s) UNIVATION TECHNOLOGIES, LLC (US) 2005-11-01 US disclosed
CN-1160383-C Catalyst modifiers and their use in olefin polymerization �������ٶ������������ι�˾ 2004-08-04 CN disclosed
US-20030207753-A1 One acid and at least one base and/or at least one reductant and at least one oxidant that when used with a polymerization catalyst in a polymerization process results in the controllable generation of a catalyst inhibitor that renders WENZEL TIMOTHY T (US) 2003-11-06 US disclosed
CN-1374974-A Catalyst modifiers and their use in the polymerization of olefin(s) UNIVATION TECH LLC (US) 2002-10-16 CN disclosed
US-6346584-B1 PROCESS FOR POLYMERIZING OLEFIN(S) IN PRESENCE OF POLYMERIZATION CATALYST AND AT LEAST TWO DIFFERENT COMPOUNDS WHICH REACT AT TEMPERATURE ABOVE OPERATING TEMPERATURE TO FORM CATALYST INHIBITOR THAT REDUCES EFFECTIVENESS OF CATALYST UNIVATION TECHNOLOGIES, LLC 2002-02-12 US disclosed
US-20020013219-A1 Catalyst modifiers and their use in the polymerization of olefin(s) WENZEL TIMOTHY T (US) 2002-01-31 US disclosed
EP-1159312-A2 CATALYST MODIFIERS AND THEIR USE IN THE POLYMERIZATION OF OLEFIN(S) Univation Technologies LLC (US) 2001-12-05 EP disclosed
WO-2000035969-A2 CATALYST MODIFIERS AND THEIR USE IN THE POLYMERIZATION OF OLEFIN(S) UNIVATION TECHNOLOGIES, LLC (US) 2000-06-22 WO disclosed
EP-0178947-B1 1-[(Aminoalkyl and aminoalkylamino)carbonyl and thiocarbonyl]-alpha,alpha-diarylpyrrolidine, piperidine and homopiperidineacetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1990-09-26 EP disclosed
US-4812452-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-14 US disclosed
US-4812451-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-14 US disclosed
US-4810703-A ANTIARRHYTHMIA A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed
US-4594343-A FOR DEEP FAT FRYING VAT OIL; REMOVING CONTAMINANTS; RESTAURANTS A.H. ROBINS COMPANY, INCORPORATED, A DE CORP. 1986-06-10 US disclosed
EP-0178947-A2 1-[(Aminoalkyl and aminoalkylamino)carbonyl and thiocarbonyl]-alpha,alpha-diarylpyrrolidine, piperidine and homopiperidineacetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1986-04-23 EP disclosed