SCHEMBL6573790

SCHEMBL6573790

CS(=O)(=O)O.Cc1nccn1-c1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)cc1

nearest known ligand 0.93

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD known ✓ O00329 1/20 0.35
ALOX5 P09917 14/20 0.93
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL332442 0.96 ALOX5 (1.00) ALOX5PIK3CD
SCHEMBL29405839 0.96 ALOX5 (1.00) ALOX5PIK3CD
Hydrochloric Acid SCHEMBL8173877 0.95 ALOX5 (0.98) ALOX5PIK3CD
SCHEMBL7802832 0.88 ALOX5 (0.84) ALOX5
SCHEMBL8173639 0.88 ALOX5 (0.80) ALOX5
SCHEMBL15803500 0.87 ALOX5 (0.82) ALOX5
SCHEMBL14678487 0.85 ALOX5 (0.79) ALOX5PIK3CD
SCHEMBL7807543 0.84 ALOX5 (0.78) ALOX5
SCHEMBL8781493 0.84 ALOX5 (0.78) ALOX5
SCHEMBL7807539 0.84 ALOX5 (0.78) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1029865-B1 Process for preparing 5-lipoxygenase inhibitors PFIZER PROD INC (US) 2004-04-28 EP disclosed
US-6346624-B1 ENZYME INHIBITORS FORMED BY DEHYDROHALOGENATION PFIZER INC 2002-02-12 US disclosed
US-6344563-B1 SULFIDING, DEHYDROHALOGENATION, FORMATION OF BOND BETWEEN CARBON AND NITROGEN NORRIS TIMOTHY (US) 2002-02-05 US disclosed
US-6239285-B1 REACTING A TETRAHYDRO-4-(3-(4-FLUOROPHENYL)THIO)PHENYL-2H-PYRAN-4-CARBOXA MIDE WITH HETEROCYCLE RING PFIZER INC 2001-05-29 US disclosed
CN-1291609-A Method of preparing 5-lipoxidase inhibitor possessing different heterocyclic ring system PFIZER PROD INC (US) 2001-04-18 CN disclosed
EP-1081146-A1 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP disclosed
EP-1081143-A1 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP disclosed
EP-1081144-A2 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP disclosed
CN-1286250-A Method for preparing 5-lipooxygenase inhibitor having changeable heterocycle system PFIZER PROD INC (US) 2001-03-07 CN disclosed
US-6194585-B1 REACTING 4-(3-(4-(2-(ALKYL OR ARYL-IMIDAZOL-1-YL)-PHENYL SULFANYL)-PHENYL)-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID AMIDE WITH METHANESULFONIC ACID TO FORM CORRESPONDING METHANESULFONIC ACID PFIZER INC. 2001-02-27 US disclosed
EP-1029865-A2 Process and intermediates for preparing 5-lipoxygenase inhibitors Pfizer Products Inc. (US) 2000-08-23 EP disclosed