SCHEMBL6944995

SCHEMBL6944995

CC(O)Cn1ncn(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
LMNA P02545 4/20 0.48
ALDH1A1 P00352 2/20 0.48
RET P07949 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
GPR119 Q8TDV5 5/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43
NAMPT P43490 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
DGAT1 O75907 2/20 0.42
NPC1 O15118 1/20 0.42
NR2F2 P24468 1/20 0.42

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
SCHEMBL7331958 0.85 MAPT (0.46) MAPTLMNAALDH1A1RETSMN1; SMN2
SCHEMBL6943134 0.83 DGAT1 (0.58) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL6936628 0.82 SMN1; SMN2 (0.68) MAPTLMNAALDH1A1RETSMN1; SMN2
SCHEMBL18856930 0.81 MAPT (0.64) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL6943817 0.81 PPARD (0.60) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL6940953 0.78 ALDH1A1 (0.47) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL19172160 0.77 MAPT (0.51) MAPTLMNAALDH1A1SMN1; SMN2CYP2C19
SCHEMBL19171571 0.77 MAPT (0.51) MAPTLMNAALDH1A1SMN1; SMN2CYP2C19
SCHEMBL5573222 0.76 MAPT (0.76) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL8504055 0.74 MAPT (0.57) MAPTLMNAALDH1A1SMN1; SMN2HTT

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 2 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