SCHEMBL11096876

SCHEMBL11096876

C[C@@H](Nc1nc2c(s1)CCCC2)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
RAB9A P51151 11/20 0.50
SMN1; SMN2 Q16637 10/20 0.50
KMT2A Q03164 5/20 0.50
GAA P10253 3/20 0.50
MITF O75030 1/20 0.50
MAPT P10636 8/20 0.48
POLB P06746 2/20 0.48
NPC1 O15118 10/20 0.47
LMNA P02545 5/20 0.47
PKM P14618 4/20 0.47
NFKB1 P19838 4/20 0.47
NFKB2 Q00653 4/20 0.47
RELA Q04206 4/20 0.47
HSD17B10 Q99714 3/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
TP53 P04637 7/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 4/20 0.46

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
SCHEMBL12890455 0.82 TSHR (0.54) TSHRRAB9ASMN1; SMN2KMT2AGAA
SCHEMBL11099838 0.79 RAB9A (0.38) TSHRRAB9ASMN1; SMN2KMT2AGAA
SCHEMBL11101927 0.79 RAB9A (0.49) RAB9ASMN1; SMN2MAPTNPC1LMNA
SCHEMBL4451648 0.78 TSHR (0.49) TSHRRAB9ASMN1; SMN2KMT2AGAA
SCHEMBL4451653 0.78 TSHR (0.49) TSHRRAB9ASMN1; SMN2KMT2AGAA
SCHEMBL9891915 0.77 TSHR (0.66) TSHRRAB9ASMN1; SMN2KMT2AGAA
SCHEMBL11255227 0.77 RAB9A (0.40) TSHRRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL11102318 0.75 RAB9A (0.36) TSHRRAB9ASMN1; SMN2MAPTPOLB
SCHEMBL6700167 0.75 TSHR (0.62) TSHRRAB9ASMN1; SMN2KMT2AGAA
SCHEMBL659214 0.74 TSHR (0.71) 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 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