SCHEMBL4451653

SCHEMBL4451653

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
RAB9A P51151 9/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
KMT2A Q03164 5/20 0.47
GAA P10253 3/20 0.47
MITF O75030 1/20 0.47
NPC1 O15118 8/20 0.45
LMNA P02545 7/20 0.45
MAPT P10636 7/20 0.45
NFKB1 P19838 5/20 0.45
NFKB2 Q00653 5/20 0.45
RELA Q04206 5/20 0.45
MEN1 O00255 4/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.45
CASP3 P42574 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL4451648 1.00 TSHR (0.49) TSHRRAB9ASMN1; SMN2KMT2AGAA
SCHEMBL4469973 0.81 TSHR (0.44) TSHRRAB9ASMN1; SMN2KMT2AGAA
SCHEMBL11096876 0.78 TSHR (0.56) TSHRRAB9ASMN1; SMN2KMT2AGAA
SCHEMBL4462184 0.75 ALDH1A1 (0.47) TSHRRAB9ASMN1; SMN2KMT2AGAA
SCHEMBL4462177 0.75 ALDH1A1 (0.47) TSHRRAB9ASMN1; SMN2KMT2AGAA
SCHEMBL12890455 0.72 TSHR (0.54) TSHRRAB9ASMN1; SMN2KMT2AGAA
SCHEMBL4455204 0.71 RAB9A (0.43) RAB9ASMN1; SMN2KMT2AGAANPC1
SCHEMBL4455208 0.71 RAB9A (0.43) RAB9ASMN1; SMN2KMT2AGAANPC1
SCHEMBL11220484 0.70 TSHR (0.65) TSHRRAB9ASMN1; SMN2KMT2AGAA
SCHEMBL13278295 0.69 TSHR (0.64) TSHRRAB9ASMN1; SMN2KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO claimed
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed