SCHEMBL11265639

SCHEMBL11265639

C[C@@H](Nc1nc2cc3ccccc3cc2s1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.44
KMT2A Q03164 4/20 0.43
SCD O00767 2/20 0.43
LRRK2 Q5S007 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 1/20 0.43
ACP1 P24666 1/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ATAD2 Q6PL18 1/20 0.42
TP53 P04637 2/20 0.42
CASP3 P42574 1/20 0.41

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
SCHEMBL11250611 0.87 DYRK1A (0.47) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9963507 0.87 NPC1 (0.45) PIK3CGKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL11340877 0.86 DYRK1A (0.48) KMT2ALRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL383066 0.84 NPC1 (0.59) KMT2ASCDNPC1RAB9ASMN1; SMN2
SCHEMBL11105682 0.84 NPC1 (0.59) KMT2ASCDNPC1RAB9ASMN1; SMN2
SCHEMBL383067 0.84 NPC1 (0.59) KMT2ASCDNPC1RAB9ASMN1; SMN2
SCHEMBL11100379 0.83 ACP1 (0.50) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11108686 0.82 DYRK1A (0.42) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11106758 0.81 DYRK1A (0.62) KMT2ASCDNPC1RAB9ASMN1; SMN2
SCHEMBL11100178 0.80 PPARA (0.57) SMN1; SMN2HDAC6SENP7DYRK1A

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
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