Bufexamac

Bufexamac

SCHEMBL5076113

CCCCOc1ccc(CC(=O)NO)cc1.CCCCOc1ccc(CC(=O)NO)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2D6 P10635 1/20 1.00
PDE4A P27815 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
HIF1A Q16665 1/20 1.00
HDAC10 Q969S8 1/20 1.00
HDAC6 Q9UBN7 1/20 1.00
ALDH1A1 P00352 1/20 0.68
LMNA P02545 1/20 0.68
MMP1 P03956 4/20 0.61
ADAMTS4 O75173 1/20 0.57
MMP2 P08253 1/20 0.57
MMP13 P45452 1/20 0.57
MMP14 P50281 1/20 0.57
ADAMTS5 Q9UNA0 1/20 0.57
PLA2G4B P0C869 1/20 0.55

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
Bufexamac SCHEMBL25215 1.00 KDM4E (1.00) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
Bufexamac SCHEMBL15456779 0.98 KDM4E (0.97) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL2777642 0.93 CYP1A2 (0.88) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
Tetrabuthylammonium SCHEMBL15545861 0.93 KDM4E (0.86) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
Bufexamac SCHEMBL5495939 0.90 SMN1; SMN2 (0.81) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL13597738 0.87 KDM4E (0.77) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL21409744 0.87 KDM4E (0.77) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL8290681 0.86 SMN1; SMN2 (0.76) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL15456780 0.84 KDM4E (0.72) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL3438778 0.84 KDM4E (0.72) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2

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-3423056-A1 METHODS FOR CONTROLLED PROLIFERATION OF STEM CELLS / GENERATING INNER EAR HAIR CELLS USING GSK-3-ALPHA INHIBITORS Frequency Therapeutics, Inc. (US) 2019-01-09 EP disclosed
EP-3423069-A2 METHODS FOR CONTROLLED PROLIFERATION OF VESTIBULAR STEM CELLS / GENERATING INNER EAR HAIR CELLS USING WNT AND TGF-BETA INHIBITION Frequency Therapeutics, Inc. (US) 2019-01-09 EP disclosed
EP-1956906-A2 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF MEDICAL CONDITIONS CombinatoRx, Incorporated (US) 2008-08-20 EP disclosed
WO-2007056457-A2 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF MEDICAL CONDITIONS COMBINATORX, INCORPORATED (US) 2007-05-18 WO disclosed
US-5462969-A Administering a mixture of an iron chelator and pentamide NEW YORK UNIVERSITY (US) 1995-10-31 US disclosed
US-5302598-A Administering an iron chelator and trimethoprim/sulfamethoxazole to treat and prevent AIDS-related pneumonia NEW YORK UNIVERSITY (US) 1994-04-12 US disclosed
US-5158979-A Administering iron chelator NEW YORK UNIVERSITY (US) 1992-10-27 US disclosed