SCHEMBL11241892

SCHEMBL11241892

CN(C)C(=O)C1=C(C(=O)Nc2ccc(Cl)cc2)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 1/20 0.45
DHODH Q02127 2/20 0.44
RAB9A P51151 6/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 4/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL11244655 0.82 NAMPT (0.44) TSHRNPSR1MAPTALDH1A1LMNA
SCHEMBL7693974 0.81 SLC6A3 (0.60) NPSR1SMN1; SMN2MAPTDHODHRAB9A
SCHEMBL11246084 0.80 GRM4 (0.56) NPSR1SMN1; SMN2MAPTHSD17B10DHODH
SCHEMBL7194464 0.80 NPSR1 (0.54) TSHRNPSR1SMN1; SMN2MAPTHSD17B10
SCHEMBL11241747 0.79 KMT2A (0.48) TSHRNPSR1SMN1; SMN2MAPTHSD17B10
SCHEMBL30913585 0.78 DHODH (0.69) NPSR1SMN1; SMN2MAPTDHODHRAB9A
SCHEMBL11242017 0.74 GRM4 (0.43) TSHRNPSR1SMN1; SMN2MAPTDHODH
SCHEMBL3915672 0.71 DHODH (0.60) NPSR1SMN1; SMN2MAPTDHODHALDH1A1
SCHEMBL20129481 0.71 DHODH (0.51) NPSR1SMN1; SMN2MAPTDHODHRAB9A
SCHEMBL10408176 0.70 NPSR1 (0.47) NPSR1SMN1; SMN2MAPTDHODHRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55157546-A None JP disclosed
US-4362546-A Tetrahydrophthalamide derivatives, herbicidal compositions and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-12-07 US disclosed
JP-S55157546-A TETRAHYDROPHTHALAMIDE DERIVATIVE, ITS PREPARATION AND HERBICIDE TAKEDA CHEM IND LTD 1980-12-08 JP disclosed