SCHEMBL12148

SCHEMBL12148

CCCCc1ccc(N/C=C(\OC=O)c2ccc(C)c(C(=O)N3CCN(c4ccccc4OC)CC3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 6/20 0.43
MAPT P10636 5/20 0.43
HTT P42858 3/20 0.43
PKM P14618 3/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
NAMPT P43490 1/20 0.42
REV1 Q9UBZ9 1/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7603987 0.84 NAMPT (0.53) NPSR1USP2HSD17B10ALDH1A1MAPT
SCHEMBL7607418 0.83 NPSR1 (0.49) NPSR1USP2HSD17B10ALDH1A1MAPT
SCHEMBL20976555 0.81 ALDH1A1 (0.47) NPSR1USP2HSD17B10ALDH1A1MAPT
SCHEMBL20976519 0.81 ALDH1A1 (0.47) NPSR1USP2HSD17B10ALDH1A1MAPT
SCHEMBL7607167 0.80 ALDH1A1 (0.51) NPSR1USP2HSD17B10ALDH1A1MAPT
SCHEMBL20976500 0.80 ALDH1A1 (0.48) NPSR1USP2HSD17B10ALDH1A1MAPT
SCHEMBL19186933 0.79 REV1 (0.54) NPSR1USP2HSD17B10ALDH1A1MAPT
SCHEMBL11996 0.79 HTT (0.60) HSD17B10ALDH1A1MAPTHTTPKM
SCHEMBL7603082 0.79 ALDH1A1 (0.48) NPSR1ALDH1A1MAPTHTTLMNA
SCHEMBL7603092 0.79 ALDH1A1 (0.48) NPSR1USP2HSD17B10ALDH1A1MAPT

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-2011050210-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS, INC. (US) 2011-04-28 WO disclosed