SCHEMBL6987934

SCHEMBL6987934

Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2CCC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.52
PTGS2 P35354 2/20 0.52
MAPK14 Q16539 2/20 0.42
BRD4 O60885 2/20 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
SCHEMBL6989278 0.96 PTGS1 (0.52) PTGS1PTGS2MAPK14BRD4
SCHEMBL6994222 0.78 NISCH (0.45) MAPK14
SCHEMBL6992970 0.77 BRD4 (0.56) BRD4
SCHEMBL6994229 0.74 TSHR (0.47)
SCHEMBL6991232 0.74 BRD4 (0.57) BRD4
SCHEMBL6998947 0.74 BRD4 (0.54) PTGS1PTGS2BRD4
SCHEMBL6993952 0.73 HSD11B1 (0.59) BRD4
SCHEMBL7000563 0.69 BRD4 (0.59) BRD4
SCHEMBL6998482 0.69 CDKN1A (0.44) PTGS1PTGS2BRD4
SCHEMBL353494 0.69 MAPK14 (0.50) PTGS1PTGS2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921119-B1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-07-02 EP claimed
US-6063804-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-05-16 US claimed
EP-0921119-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-06-09 EP claimed
EP-0921119-B1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-07-02 EP disclosed
US-6114360-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-09-05 US disclosed
US-6063804-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-05-16 US disclosed
EP-0921119-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-06-09 EP disclosed