SCHEMBL9681865

SCHEMBL9681865

Cc1[nH]c(=O)c(N(C)c2nc3ccccc3o2)cc1C(C)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1R P00736 1/20 0.39
MAPT P10636 1/20 0.36
PPARG P37231 6/20 0.35
ELANE P08246 4/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
HDAC6 Q9UBN7 2/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
STAT1 P42224 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL9268706 0.74 RAB9A (0.48) MAPTELANEKDM4ENPC1RAB9A
SCHEMBL9682722 0.74 C1R (0.39) C1RMAPTPPARGELANEPPARD
SCHEMBL9681875 0.72 MAPT (0.37) MAPTELANEKDM4ENPC1ALDH1A1
SCHEMBL6805005 0.68 PPARG (0.44) MAPTPPARGELANENPC1ALDH1A1
SCHEMBL25774152 0.65 PPARG (0.45) MAPTPPARGELANEPPARAHCRTR1
SCHEMBL9846349 0.65 MAPT (0.50) MAPTELANEKDM4ENPC1RAB9A
SCHEMBL2543163 0.64 PPARG (0.51) MAPTPPARGELANEPPARDPPARA
SCHEMBL2543168 0.64 PPARG (0.51) MAPTPPARGELANEPPARDPPARA
SCHEMBL6902562 0.64 MAPT (0.46) MAPTPPARGELANEHCRTR1KDM4E
SCHEMBL8716001 0.64 ELANE (0.51) MAPTPPARGELANENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP disclosed