SCHEMBL11124259

SCHEMBL11124259

CCCCc1ccc(S)c(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.42
CA2 P00918 2/20 0.42
HPGD P15428 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
HTR2A P28223 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA1 P00915 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL11825352 0.88 SKP2 (0.44) SKP2SMN1; SMN2CA2RAB9ANPC1
SCHEMBL11467020 0.85 SKP2 (0.65) SKP2SMN1; SMN2CA2HPGDRAB9A
SCHEMBL8553254 0.83 SKP2 (0.62) SKP2SMN1; SMN2CA2HPGDRAB9A
SCHEMBL7204931 0.82 SKP2 (0.71) SKP2SMN1; SMN2CA2HPGDRAB9A
SCHEMBL30883022 0.82 SKP2 (0.50) SKP2SMN1; SMN2CA2HPGDRAB9A
SCHEMBL29511379 0.82 SKP2 (0.71) SKP2SMN1; SMN2CA2HPGDRAB9A
SCHEMBL3053597 0.82 SKP2 (0.50) SKP2SMN1; SMN2CA2HPGDRAB9A
SCHEMBL15751289 0.79 NOS3 (0.42) SKP2SMN1; SMN2CA2HPGDRAB9A
SCHEMBL23007565 0.79 SKP2 (0.58) SKP2SMN1; SMN2CA2HPGDRAB9A
SCHEMBL83489 0.78 SKP2 (0.61) SKP2SMN1; SMN2CA2HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0042753-B1 NONAPEPTIDE AND DECAPEPTIDE AGONISTS OF LUTEINIZING HORMONE RELEASING HORMONE CONTAINING HETEROCYCLIC AMINO ACID RESIDUES, METHODS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOUNDS CONTAINING THEM, AND THEIR PHARMACEUTICAL USE SYNTEX (U.S.A.) INC. (US) 1984-03-21 EP disclosed
US-4318905-A Nonapeptide and decapeptide agonists of luteinizing hormone releasing hormone containing heterocyclic amino acid residues SYNTEX (U.S.A.) INC. (US) 1982-03-09 US disclosed
EP-0042753-A1 Nonapeptide and decapeptide agonists of luteinizing hormone releasing hormone containing heterocyclic amino acid residues, methods for their preparation, pharmaceutical compounds containing them, and their pharmaceutical use SYNTEX (U.S.A.) INC. (US) 1981-12-30 EP disclosed