SCHEMBL6943134

SCHEMBL6943134

CC(C)n1ncn(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.58
MAPT P10636 4/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
GPR119 Q8TDV5 7/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TSHR P16473 1/20 0.46
NAMPT P43490 1/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL6936628 0.89 SMN1; SMN2 (0.68) DGAT1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL13114760 0.85 DGAT1 (0.59) DGAT1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL13218487 0.85 DDB1 (0.49) DGAT1MAPTLMNAKDM4EGPR119
SCHEMBL6944995 0.83 MAPT (0.48) DGAT1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL7331958 0.81 MAPT (0.46) DGAT1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL9665148 0.80 MAPT (0.77) DGAT1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5573222 0.79 MAPT (0.76) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL14902011 0.78 MAPT (0.60) DGAT1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL9664895 0.77 MAPT (0.78) DGAT1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL20639915 0.77 MAPT (0.58) DGAT1MAPTALDH1A1LMNASMN1; 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 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 disclosed
US-6153616-A Triazoles as therapeutic agents for fungal infections SYNPHAR LABORATORIES, INC. (CA) 2000-11-28 US disclosed
EP-0889881-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES INC. (CA) 1999-01-13 EP disclosed
WO-1998031675-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES, INC. (US) 1998-07-23 WO disclosed