SCHEMBL11368657

SCHEMBL11368657

COc1ccc(-c2nc(NCc3ccccc3)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.65
MAPT P10636 5/20 0.64
ALDH1A1 P00352 4/20 0.64
KDM4E B2RXH2 3/20 0.64
GAA P10253 3/20 0.64
LMNA P02545 2/20 0.64
HTT P42858 1/20 0.64
RECQL P46063 1/20 0.64
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
PTGS1 P23219 1/20 0.58
ROCK2 O75116 1/20 0.57
GSK3B P49841 1/20 0.57
CLK4 Q9HAZ1 1/20 0.52
NR1H4 Q96RI1 1/20 0.51
ACHE P22303 2/20 0.51
TGFBR1 P36897 1/20 0.50
ACP1 P24666 1/20 0.50

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
SCHEMBL253495 0.93 MAPT (0.69) PTGS2MAPTALDH1A1KDM4EGAA
SCHEMBL1302256 0.85 PTGS2 (0.67) PTGS2MAPTALDH1A1KDM4EGAA
SCHEMBL27925087 0.83 NPC1 (0.54) PTGS2MAPTALDH1A1GAAMEN1
SCHEMBL28804129 0.81 PLTP (0.52) PTGS2MAPTALDH1A1GAAMEN1
SCHEMBL27925165 0.81 CETP (0.50) PTGS2MAPTALDH1A1GAAMEN1
SCHEMBL27968542 0.79 RAB9A (0.59) PTGS2MAPTALDH1A1KDM4EGAA
SCHEMBL205709 0.77 MAPT (0.78) PTGS2MAPTALDH1A1KDM4EGAA
SCHEMBL216750 0.77 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7846478 0.77 PTGS2 (0.56) PTGS2PTGS1ROCK2GSK3BCLK4
SCHEMBL6154904 0.77 PTGS2 (0.51) PTGS2ALDH1A1KDM4EGAAPTGS1

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
US-4307106-A IMMUNO-REGULANT EFFECT, TREATING RHEUMATOID ARTHRITIS PFIZER INC. (US) 1981-12-22 US disclosed