SCHEMBL9775989

SCHEMBL9775989

CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)nc2)c1=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.80
LMNA P02545 2/20 0.80
KDM4E B2RXH2 2/20 0.80
ALDH1A1 P00352 2/20 0.80
GAA P10253 1/20 0.80
HTT P42858 1/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
DGAT1 O75907 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 11/20 0.45
MEN1 O00255 1/20 0.39
ABCB11 O95342 1/20 0.39
FYN P06241 1/20 0.39
ABCB1 P08183 1/20 0.39
CXCR1 P25024 1/20 0.39
TACR1 P25103 1/20 0.39
MAPK1 P28482 1/20 0.39
AVPR2 P30518 1/20 0.39
CCR4 P51679 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9776127 0.93 MAPT (0.78) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL3107523 0.89 MAPT (1.00) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL3111183 0.89 MAPT (1.00) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL2543291 0.89 MAPT (1.00) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL9776100 0.88 MAPT (0.80) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL14772855 0.84 MAPT (0.77) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL8931684 0.81 DGAT1 (0.60) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL8931691 0.81 DGAT1 (0.53) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL9775965 0.80 MAPT (0.78) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL15913069 0.80 MAPT (0.77) MAPTLMNAKDM4EALDH1A1GAA

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
US-5023258-A Triazole antifungal agents PFIZER INC. (US) 1991-06-11 US disclosed
EP-0352946-A1 Triazole antifungal agents Pfizer Limited (GB) 1990-01-31 EP disclosed