SCHEMBL6938477

SCHEMBL6938477

CCC(C)n1ncn(-c2ccc(N3CCN([C@H](C)[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)cc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP3A4 P08684 16/20 0.50
CYP2C9 P11712 9/20 0.50
CYP2C19 P33261 8/20 0.50
CYP1A2 P05177 5/20 0.49
CYP2D6 P10635 5/20 0.49
KCNH2 Q12809 1/20 0.49
MAPK1 P28482 2/20 0.47
CYP2B6 P20813 1/20 0.47
CYP3A5 P20815 1/20 0.47
CYP3A7 P24462 1/20 0.47
CYP3A43 Q9HB55 1/20 0.47
CYP46A1 Q9Y6A2 1/20 0.47
CYP19A1 P11511 2/20 0.47

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
SCHEMBL6936623 0.94 CYP3A4 (0.50) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL6938539 0.94 CYP3A4 (0.50) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL6944059 0.94 CYP3A4 (0.50) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL6942294 0.94 CYP3A4 (0.50) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL6940912 0.94 CYP3A4 (0.51) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL9120397 0.90 MAPT (0.49) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL9121838 0.89 LMNA (0.48) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL6942811 0.88 CYP3A4 (0.49) LMNACYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL6936673 0.87 CYP3A4 (0.48) LMNACYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL6939086 0.87 CYP3A4 (0.48) LMNACYP3A4CYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889881-B1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS NAEJA PHARMACEUTICAL INC (CA) 2003-04-23 EP claimed
US-6153616-A Triazoles as therapeutic agents for fungal infections SYNPHAR LABORATORIES, INC. (CA) 2000-11-28 US claimed
EP-0889881-B1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS NAEJA PHARMACEUTICAL INC (CA) 2003-04-23 EP disclosed
US-6153616-A Triazoles as therapeutic agents for fungal infections SYNPHAR LABORATORIES, INC. (CA) 2000-11-28 US disclosed