SCHEMBL8692140

SCHEMBL8692140

O=C(Nc1ccc(Cl)nc1)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
KCNQ3 O43525 3/20 0.58
KCNQ2 O43526 3/20 0.58
ROCK2 O75116 1/20 0.57
MAPT P10636 3/20 0.56
TP53 P04637 2/20 0.56
KDM1A O60341 2/20 0.55
MAOA P21397 2/20 0.55
MAOB P27338 2/20 0.55
MGLL Q99685 2/20 0.55
RCOR1 Q9UKL0 1/20 0.54
MAPKAPK2 P49137 1/20 0.54
KCNE1 P15382 1/20 0.53
KCNQ1 P51787 1/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
P2RX7 Q99572 1/20 0.52

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
SCHEMBL29179785 0.87 POLB (0.62) POLBROCK2MAPTTP53KDM1A
SCHEMBL1040107 0.84 POLB (0.59) POLBROCK2MAPTTP53KDM1A
SCHEMBL27789206 0.83 ROCK2 (0.62) POLBROCK2MAPTTP53KDM1A
SCHEMBL30076850 0.82 POLB (0.57) POLBROCK2MAPTTP53KDM1A
SCHEMBL31307421 0.82 POLB (0.57) POLBROCK2MAPTTP53KDM1A
SCHEMBL15332108 0.82 POLB (0.57) POLBROCK2MAPTTP53KDM1A
SCHEMBL16423708 0.82 POLB (0.57) POLBROCK2MAPTTP53KDM1A
SCHEMBL3795024 0.82 POLB (0.68) POLBROCK2MAPTTP53KDM1A
SCHEMBL10173263 0.81 POLB (0.62) POLBROCK2MAPTTP53KDM1A
SCHEMBL14186812 0.81 POLB (0.52) POLBROCK2MAPTTP53KDM1A

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-5773459-A ENZYME INHIBITORS OF KINASES AND ANTICARCINOGENIC AGENTS SUGEN, INC. (US) 1998-06-30 US disclosed
WO-1996040673-A1 NOVEL UREA- AND THIOUREA-TYPE COMPOUNDS SUGEN, INC. (US) 1996-12-19 WO disclosed