SCHEMBL29028951

SCHEMBL29028951

NC(=S)c1ccccc1NC=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
KDM4E B2RXH2 9/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
NFKB1 P19838 4/20 0.41
NFKB2 Q00653 4/20 0.41
RELA Q04206 4/20 0.41
MAPT P10636 4/20 0.41
PKM P14618 3/20 0.41
POLB P06746 3/20 0.41
TP53 P04637 3/20 0.41
CASP1 P29466 2/20 0.41
HSD17B10 Q99714 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 2/20 0.38
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL2612359 0.82 KDM4E (0.58) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7424567 0.81 KDM4E (0.57) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7425418 0.81 KDM4E (0.57) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL29413047 0.76 ALDH1A1 (0.57) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL501876 0.76 ALDH1A1 (0.57) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL11066768 0.76 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL27950836 0.76 RXFP1 (0.50) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL29467931 0.74 RXFP1 (0.49) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9163256 0.74 RXFP1 (0.46) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3900033 0.74 RXFP1 (0.49) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116439247-A Pesticide composition for preventing and controlling paeonia lactiflora aphids 河南农业职业学院 2023-07-18 CN disclosed
CN-116439251-A Pesticide composition for preventing and controlling diseases and insect pests of paeonia lactiflora 河南农业职业学院 2023-07-18 CN disclosed
CN-114342941-B Composition for preventing and treating diseases and insect pests of paeonia lactiflora 河南农业职业学院 2023-05-23 CN disclosed
CN-114342941-A Composition for preventing and treating diseases and insect pests of Chinese herbaceous peony 河南农业职业学院 2022-04-15 CN disclosed