SCHEMBL11220484

SCHEMBL11220484

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
RAB9A P51151 13/20 0.55
NPC1 O15118 12/20 0.55
SMN1; SMN2 Q16637 10/20 0.55
MAPT P10636 8/20 0.55
TP53 P04637 7/20 0.55
KMT2A Q03164 6/20 0.55
NFKB1 P19838 5/20 0.55
NFKB2 Q00653 5/20 0.55
RELA Q04206 5/20 0.55
MEN1 O00255 5/20 0.55
PKM P14618 4/20 0.55
LMNA P02545 4/20 0.55
HPGD P15428 2/20 0.55
CASP3 P42574 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55

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
Potassium Ion SCHEMBL11217723 0.89 TSHR (0.63) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13278295 0.83 TSHR (0.64) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL659214 0.81 TSHR (0.71) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7955024 0.81 TSHR (0.67) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL11924524 0.79 TSHR (0.63) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL11221748 0.78 PARP1 (0.67) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13035816 0.78 TSHR (0.67) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL24026375 0.78 PARP1 (0.67) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9891915 0.78 TSHR (0.66) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13015658 0.78 TSHR (0.66) 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-4321372-A Antiulcer thiazol-2-ylcarbamoyl-carboxylic acids, esters and amides PFIZER INC. (US) 1982-03-23 US disclosed