SCHEMBL7651817

SCHEMBL7651817

Cc1cnn(-c2ccc(Sc3cccc(C4(C(N)=O)CCOCC4)c3)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.66
ALOX5AP P20292 1/20 0.37
PIK3CD O00329 1/20 0.35
LMNA P02545 2/20 0.35
RIPK2 O43353 2/20 0.33
HDAC4 P56524 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7656075 0.83 ALOX5 (0.69) ALOX5PIK3CDLMNAALDH1A1TSHR
SCHEMBL8166180 0.80 ALOX5 (0.67) ALOX5PIK3CDLMNAALDH1A1TSHR
SCHEMBL8173632 0.80 ALOX5 (0.67) ALOX5LMNAALDH1A1TSHRNPSR1
SCHEMBL332442 0.79 ALOX5 (1.00) ALOX5PIK3CDALDH1A1
SCHEMBL29405839 0.79 ALOX5 (1.00) ALOX5PIK3CDALDH1A1
SCHEMBL3568549 0.79 ALOX5 (0.62) ALOX5PIK3CDHRH3
Hydrochloric Acid SCHEMBL8173877 0.79 ALOX5 (0.98) ALOX5PIK3CDALDH1A1
SCHEMBL3563550 0.78 ALOX5 (0.59) ALOX5PIK3CDALDH1A1HRH3
SCHEMBL3569286 0.78 ALOX5 (0.64) ALOX5PIK3CDLMNAHRH3
Pf-4191834 SCHEMBL332973 0.78 ALOX5 (0.81) ALOX5PIK3CDHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1291609-A Method of preparing 5-lipoxidase inhibitor possessing different heterocyclic ring system PFIZER PROD INC (US) 2001-04-18 CN claimed
EP-1081146-A1 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP claimed
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