Fluconazole

Fluconazole

SCHEMBL20305060

OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F.[H+]

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ERG11

The experimentally established mechanism targets of Fluconazole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 16/20 0.97
CYP2C9 P11712 12/20 0.97
CYP2C19 P33261 12/20 0.97
LMNA P02545 2/20 0.97
HSP90AA1 P07900 1/20 0.97
CYP19A1 P11511 1/20 0.97
CYP11B1 P15538 1/20 0.97
CYP11B2 P19099 1/20 0.97
ADRA1A P35348 1/20 0.97
CYP51A1 Q16850 1/20 0.97
CYP2B6 P20813 1/20 0.57
CYP3A5 P20815 1/20 0.57
CYP3A7 P24462 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP3A43 Q9HB55 1/20 0.57
CYP46A1 Q9Y6A2 1/20 0.57
CYP1A2 P05177 6/20 0.53
CYP2D6 P10635 6/20 0.53
KMT2A Q03164 1/20 0.50
HDAC3 O15379 1/20 0.49

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
Fluconazole SCHEMBL5503188 0.99 CYP3A4 (1.00) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
Fluconazole SCHEMBL3151 0.99 CYP3A4 (1.00) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
Fluconazole SCHEMBL5597261 0.99 CYP3A4 (1.00) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
Fluconazole SCHEMBL29360276 0.99 CYP3A4 (1.00) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
Fluconazole SCHEMBL27971503 0.97 CYP3A4 (0.97) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
Fluconazole SCHEMBL27514614 0.97 CYP3A4 (0.97) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
Fluconazole SCHEMBL28141272 0.97 CYP3A4 (0.97) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
Fluconazole SCHEMBL27971366 0.97 CYP3A4 (0.97) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
Fluconazole SCHEMBL2244102 0.97 CYP3A4 (0.97) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
Fluconazole SCHEMBL27534402 0.97 CYP3A4 (0.97) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1

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
US-20240074907-A1 DEVICES AND METHODS FOR WOUND TREATMENT APPLIED TISSUE TECH LLC (US) 2024-03-07 US disclosed
EP-3558185-B1 DEVICES FOR WOUND TREATMENT APPLIED TISSUE TECH LLC (US) 2023-11-29 EP disclosed
US-20230079448-A1 DEVICES AND METHODS FOR NEGATIVE PRESSURE THERAPY APPLIED TISSUE TECHNOLOGIES LLC (US) 2023-03-16 US disclosed
EP-4087629-A1 DEVICES AND METHODS FOR NEGATIVE PRESSURE THERAPY Applied Tissue Technologies LLC (US) 2022-11-16 EP disclosed
WO-2021142293-A1 DEVICES AND METHODS FOR NEGATIVE PRESSURE THERAPY APPLIED TISSUE TECHNOLOGIES LLC (US) 2021-07-15 WO disclosed
EP-3558185-A1 DEVICES AND METHODS FOR WOUND TREATMENT Applied Tissue Technologies LLC (US) 2019-10-30 EP disclosed
WO-2018119442-A1 DEVICES AND METHODS FOR WOUND TREATMENT APPLIED TISSUE TECHNOLOGIES LLC (US) 2018-06-28 WO disclosed