SCHEMBL11232504

SCHEMBL11232504

CN(CC=O)C(=O)Nc1nc2c(s1)CCCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
RAB9A P51151 15/20 0.53
NPC1 O15118 14/20 0.53
SMN1; SMN2 Q16637 12/20 0.53
MAPT P10636 9/20 0.53
ALDH1A1 P00352 8/20 0.53
TP53 P04637 8/20 0.53
LMNA P02545 7/20 0.53
HSD17B10 Q99714 5/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 1/20 0.53
GFER P55789 1/20 0.53
PARP1 P09874 1/20 0.50
NFKB1 P19838 5/20 0.49
NFKB2 Q00653 5/20 0.49

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
SCHEMBL11924524 0.76 TSHR (0.63) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL659214 0.75 TSHR (0.71) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL24026375 0.75 PARP1 (0.67) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13035816 0.72 TSHR (0.67) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7955024 0.72 TSHR (0.67) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1000149 0.72 TSHR (0.55) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL11237893 0.72 ALDH1A1 (0.36) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL13015658 0.72 TSHR (0.66) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9891915 0.72 TSHR (0.66) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL11228337 0.71 TSHR (0.74) TSHRRAB9ANPC1SMN1; SMN2MAPT

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