SCHEMBL11228337

SCHEMBL11228337

CCOC(=O)Nc1nc2c(s1)CCCC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.74
PARP1 P09874 1/20 0.70
LMNA P02545 4/20 0.57
NPC1 O15118 8/20 0.54
RAB9A P51151 8/20 0.54
MAPT P10636 8/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
PKM P14618 4/20 0.54
GAA P10253 3/20 0.54
HSD17B10 Q99714 3/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
THRB P10828 1/20 0.54
TP53 P04637 6/20 0.53
ALDH1A1 P00352 4/20 0.53
STAT1 P42224 1/20 0.53
MEN1 O00255 1/20 0.52

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
SCHEMBL11221748 0.86 PARP1 (0.67) TSHRPARP1LMNANPC1RAB9A
SCHEMBL24026375 0.81 PARP1 (0.67) TSHRPARP1LMNANPC1RAB9A
SCHEMBL1781609 0.81 ALDH1A1 (0.56) TSHRPARP1LMNANPC1RAB9A
SCHEMBL659214 0.79 TSHR (0.71) TSHRPARP1LMNANPC1RAB9A
SCHEMBL13278295 0.77 TSHR (0.64) TSHRPARP1LMNANPC1RAB9A
SCHEMBL11924524 0.76 TSHR (0.63) TSHRPARP1LMNANPC1RAB9A
SCHEMBL13035816 0.75 TSHR (0.67) TSHRPARP1LMNANPC1RAB9A
SCHEMBL7955024 0.75 TSHR (0.67) TSHRPARP1LMNANPC1RAB9A
SCHEMBL9891915 0.75 TSHR (0.66) TSHRPARP1LMNANPC1RAB9A
SCHEMBL12922693 0.75 PARP1 (0.53) TSHRPARP1LMNAMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4319914-A POSTEMERGENCE HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1982-03-16 US disclosed