SCHEMBL1667778

SCHEMBL1667778

Cc1ccc(C)n1-c1c(C(=N)NO)c2cccnc2n1-c1ccc(O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP14 P54578 1/20 0.36
ALDH1A1 P00352 5/20 0.34
FEN1 P39748 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C19 P33261 2/20 0.32
TSHR P16473 1/20 0.32
PDE4A P27815 2/20 0.32
TP53 P04637 1/20 0.32
REN P00797 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
APP P05067 1/20 0.30
MYC P01106 2/20 0.30
HTT P42858 2/20 0.30
SLC6A2 P23975 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30

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
SCHEMBL12797301 0.81 HSP90AA1 (0.41) USP14ALDH1A1FEN1KDM4ECYP2C19
SCHEMBL1077439 0.81 HDAC6 (0.36) USP14ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL1667774 0.81 NTRK1 (0.37) USP14ALDH1A1FEN1KDM4EMAPT
SCHEMBL1667776 0.81 NTRK1 (0.37) USP14ALDH1A1FEN1KDM4EMAPT
SCHEMBL1667678 0.80 FEN1 (0.33) USP14ALDH1A1FEN1CYP2C19TSHR
SCHEMBL1667733 0.79 FEN1 (0.32) USP14ALDH1A1FEN1KDM4EMAPT
SCHEMBL1667884 0.78 USP14 (0.33) USP14ALDH1A1FEN1PDE4AREN
SCHEMBL1668168 0.77 USP14 (0.33) USP14ALDH1A1FEN1RENPDE4B
SCHEMBL1667702 0.76 BRD4 (0.36) USP14ALDH1A1KDM4EMAPTCYP2C19
SCHEMBL1667747 0.76 USP14 (0.33) USP14ALDH1A1MAPTSMN1; SMN2REN

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
WO-2011042474-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed