SCHEMBL8048312

SCHEMBL8048312

CCCCc1nnc(Sc2nc3ccc(C(=O)O)cc3s2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MITF O75030 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41
KLF5 Q13887 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARA Q07869 6/20 0.40

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
SCHEMBL8033053 0.94 SMN1; SMN2 (0.44) SMN1; SMN2NFKB1NFKB2RELALMNA
SCHEMBL8043161 0.90 LMNA (0.46) SMN1; SMN2NFKB1NFKB2RELALMNA
SCHEMBL8042313 0.89 NFKB1 (0.45) SMN1; SMN2NFKB1NFKB2RELALMNA
SCHEMBL8050099 0.88 NFKB1 (0.44) SMN1; SMN2NFKB1NFKB2RELALMNA
SCHEMBL8044393 0.86 NFKB1 (0.47) SMN1; SMN2NFKB1NFKB2RELALMNA
SCHEMBL8034220 0.86 LMNA (0.51) SMN1; SMN2NFKB1NFKB2RELALMNA
SCHEMBL8033704 0.86 MAPT (0.46) SMN1; SMN2NFKB1NFKB2RELALMNA
SCHEMBL8038022 0.85 SMN1; SMN2 (0.46) SMN1; SMN2NFKB1NFKB2RELALMNA
SCHEMBL8045054 0.84 LMNA (0.43) SMN1; SMN2NFKB1NFKB2RELALMNA
SCHEMBL8046566 0.83 NPC1 (0.44) SMN1; SMN2NFKB1NFKB2RELALMNA

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