SCHEMBL15941504

SCHEMBL15941504

C#CCN1C(=O)COc2ccc(NC(=O)C3=C(C(N)=O)CCCC3)cc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
ALOX15 P16050 3/20 0.42
TSHR P16473 3/20 0.42
MAPT P10636 4/20 0.40
TP53 P04637 3/20 0.39
HSD17B10 Q99714 1/20 0.39
PLK1 P53350 1/20 0.39
HTT P42858 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
SCHEMBL15942288 0.85 POLB (0.32) POLBALOX15TSHRPLK1HTT
SCHEMBL15942289 0.85 NPC1 (0.33) POLBALOX15TSHRMAPTPLK1
SCHEMBL15942093 0.84 ALOX15 (0.35) POLBALOX15TSHRMAPTTP53
SCHEMBL303837 0.84 POLB (0.36) POLBTP53
SCHEMBL4683602 0.79 PLK1 (0.42) POLBALOX15TSHRMAPTHSD17B10
SCHEMBL15941528 0.74 POLB (0.33) POLBALOX15TSHRHSD17B10PLK1
SCHEMBL15941860 0.74 POLB (0.33) POLBALOX15TSHRHSD17B10PLK1
SCHEMBL15942092 0.74 FPR2 (0.36) POLBALOX15TSHRMAPTTP53
SCHEMBL18581411 0.73 HDAC6 (0.46) TSHRMAPTPLK1HTT
SCHEMBL15941342 0.73 POLB (0.37) POLB

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-2014122674-A1 PROCESS FOR PREPARATION OF DERIVATIVES OF TETRAHYDROPHTHALIMIDE RALLIS INDIA LIMITED (IN) 2014-08-14 WO disclosed