SCHEMBL8041797

SCHEMBL8041797

O=C(O)Cn1nnc(Sc2nc3ccc(C(=O)O)cc3s2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
POLB P06746 3/20 0.43
MITF O75030 2/20 0.43
GFER P55789 2/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
PAX8 Q06710 1/20 0.43
KLF5 Q13887 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 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
SCHEMBL8045375 0.89 NFKB1 (0.45) SMN1; SMN2NFKB1NFKB2RELAKDM4E
SCHEMBL8043224 0.87 SMN1; SMN2 (0.44) SMN1; SMN2NFKB1NFKB2RELAKDM4E
SCHEMBL8041984 0.86 SMN1; SMN2 (0.51) SMN1; SMN2NFKB1NFKB2RELAKDM4E
SCHEMBL8052342 0.85 HCAR3 (0.43) SMN1; SMN2NFKB1NFKB2RELAKDM4E
SCHEMBL8043551 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL8046507 0.85 KDM4E (0.49) SMN1; SMN2NFKB1NFKB2RELAKDM4E
SCHEMBL8042780 0.83 KDM4E (0.43) SMN1; SMN2KDM4ELMNANPC1RAB9A
SCHEMBL8047843 0.83 PDK1 (0.53) SMN1; SMN2KDM4ELMNANPC1RAB9A
SCHEMBL8050070 0.83 NFKB1 (0.45) SMN1; SMN2NFKB1NFKB2RELAKDM4E
SCHEMBL8033149 0.80 PPARA (0.43) SMN1; SMN2NFKB1NFKB2RELAKDM4E

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-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed