SCHEMBL9057529

SCHEMBL9057529

Cc1cc(C)c(NC(=O)N(Cc2cccc(-c3cnn(C)c3)c2)C2CCCCCC2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 5/20 0.44
GSK3B P49841 5/20 0.44
DYRK1A Q13627 5/20 0.44
TP53 P04637 4/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
UBE2M P61081 3/20 0.40
DCUN1D1 Q96GG9 3/20 0.40
AXL P30530 2/20 0.40
MERTK Q12866 2/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
ROCK2 O75116 1/20 0.39
AURKA O14965 1/20 0.39
SLC2A1 P11166 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
TPX2 Q9ULW0 1/20 0.39
KDR P35968 1/20 0.38

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
SCHEMBL9057083 0.87 DCUN1D1 (0.42) TP53MAPTUBE2MDCUN1D1
SCHEMBL8807120 0.87 GAA (0.48) TP53MAPTGAANPSR1UBE2M
SCHEMBL8809258 0.84 ROCK2 (0.57) GAANPSR1THRBROCK2
SCHEMBL8812974 0.83 CCR3 (0.43) TP53MAPTGAANPSR1UBE2M
SCHEMBL8813280 0.82 GAA (0.41) TP53MAPTGAANPSR1UBE2M
SCHEMBL8807169 0.81 ROCK2 (0.42) TP53MAPTGAANPSR1UBE2M
SCHEMBL8809549 0.80 GAA (0.44) TP53MAPTGAANPSR1UBE2M
SCHEMBL9056291 0.80 ROCK2 (0.43) TP53MAPTGAANPSR1UBE2M
SCHEMBL8809317 0.80 ROCK2 (0.43) TP53MAPTGAANPSR1UBE2M
SCHEMBL9059369 0.80 GAA (0.49) TP53MAPTGAANPSR1UBE2M

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-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed