SCHEMBL8045375

SCHEMBL8045375

CCn1nnc(Sc2nc3ccc(C(=O)O)cc3s2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
SMN1; SMN2 Q16637 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
MAPT P10636 3/20 0.43
MITF O75030 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
GFER P55789 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 0.41

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
SCHEMBL8043224 0.92 SMN1; SMN2 (0.44) NFKB1NFKB2RELASMN1; SMN2KDM4E
SCHEMBL8052342 0.90 HCAR3 (0.43) NFKB1NFKB2RELASMN1; SMN2KDM4E
SCHEMBL8041797 0.89 SMN1; SMN2 (0.45) NFKB1NFKB2RELASMN1; SMN2KDM4E
SCHEMBL8041984 0.86 SMN1; SMN2 (0.51) NFKB1NFKB2RELASMN1; SMN2KDM4E
SCHEMBL8050070 0.85 NFKB1 (0.45) NFKB1NFKB2RELASMN1; SMN2KDM4E
SCHEMBL8044690 0.85 PPARA (0.43) NFKB1NFKB2RELASMN1; SMN2KDM4E
SCHEMBL8046507 0.85 KDM4E (0.49) NFKB1NFKB2RELASMN1; SMN2KDM4E
SCHEMBL8033149 0.83 PPARA (0.43) NFKB1NFKB2RELASMN1; SMN2KDM4E
SCHEMBL8046514 0.83 LMNA (0.44) NFKB1NFKB2RELASMN1; SMN2KDM4E
SCHEMBL8041873 0.80 SMN1; SMN2 (0.45) SMN1; SMN2LMNANPC1RAB9AMAPT

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 1 patent. 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