SCHEMBL6571622

SCHEMBL6571622

C[C@@H](CO)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.48
CYP2C9 P11712 9/20 0.48
CYP2C19 P33261 9/20 0.48
CYP1A2 P05177 6/20 0.48
CYP2D6 P10635 6/20 0.48
KCNH2 Q12809 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 3/20 0.44
KMT2A Q03164 2/20 0.44
CYP2B6 P20813 1/20 0.44
CYP3A5 P20815 1/20 0.44
CYP3A7 P24462 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP3A43 Q9HB55 1/20 0.44
CYP46A1 Q9Y6A2 1/20 0.44
HSP90AA1 P07900 2/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL7457064 1.00 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL9199721 1.00 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL9521855 1.00 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL9201276 1.00 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL10170682 0.92 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL7459977 0.91 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL9521191 0.91 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL9521181 0.91 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL10361174 0.91 CYP3A4 (0.51) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL10600188 0.89 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044193-B1 PROCESS FOR PREPARING TRIAZOLE ANTIMYCOTIC COMPOUNDS ZAMBON SPA (IT) 2004-10-13 EP disclosed
EP-1044192-B1 PROCESS FOR PREPARING TRIAZOLE COMPOUNDS ZAMBON SPA (IT) 2004-08-18 EP disclosed
EP-0877739-B1 AZOLE COMPOUNDS ENDOWED WITH ANTIMYCOTIC ACTIVITY FOR HUMAN AND VETERINARY USE ZAMBON SPA (IT) 2002-06-12 EP disclosed
US-6194584-B1 EPOXIDIZING 2-HALO OR DIHALO-PHENYL-BUTEN-1,4-DIOL; TREATING WITH ALKYL MAGNESIUM HALIDE IN PRESENCE OF COPPER IODIDE TO FORM TRIOL; TREATING WITH SULFONIC ACID CHLORIDE OR HALOGIANTING AGENT; REACTING WITH 1,2,4-TRIAZOLE ZAMBON GROUP S.P.A. (IT) 2001-02-27 US disclosed
EP-1044193-A1 PROCESS FOR PREPARING TRIAZOLE ANTIMYCOTIC COMPOUNDS ZAMBON GROUP S.p.A. (IT) 2000-10-18 EP disclosed
EP-1044192-A1 PROCESS FOR PREPARING TRIAZOLE COMPOUNDS ZAMBON GROUP S.p.A. (IT) 2000-10-18 EP disclosed
US-6103909-A EFFECTIVE AGAINST DRUG RESISTANT STRAINS OF CANDIDA, CRYPTOCOCCUS, ASPERGILLUS, FUSARIUM ISAGRO S.P.A. AND ZAMBON GROUP S.P.A. (IT) 2000-08-15 US disclosed
WO-1999029676-A1 PROCESS FOR PREPARING TRIAZOLE COMPOUNDS ZAMBON GROUP S.P.A. (IT) 1999-06-17 WO disclosed
WO-1999029675-A1 PROCESS FOR PREPARING TRIAZOLE ANTIMYCOTIC COMPOUNDS ZAMBON GROUP S.P.A. (IT) 1999-06-17 WO disclosed
US-5869512-A TREATING DRUG RESISTANT FUNGAL AND YEAST INFECTIONS ZAMBON GROUP S.P.A (IT) 1999-02-09 US disclosed
EP-0431968-B1 Oxetane derivatives, their preparation and their use as anti-fungal or fungicidal agents SANKYO CO (JP) 1995-03-15 EP disclosed
US-5134152-A 1,2,4-Triazole compounds SANKYO COMPANY, LIMITED (JP) 1992-07-28 US disclosed
EP-0431968-A1 Oxetane derivatives, their preparation and their use as anti-fungal or fungicidal agents Sankyo Company Limited (JP) 1991-06-12 EP disclosed