SCHEMBL8043375

SCHEMBL8043375

Cn1nnnc1Sc1nc2ccc(C(=O)O)cc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 3/20 0.45
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
MAPT P10636 4/20 0.44
MITF O75030 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
POLB P06746 2/20 0.43
RECQL P46063 2/20 0.43
GAA P10253 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

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
SCHEMBL8042101 0.86 HPGD (0.45) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL8048558 0.86 HCAR3 (0.46) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL8042755 0.85 HCAR3 (0.44) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL8050451 0.85 MAPT (0.47) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL8033820 0.84 ALDH1A1 (0.49) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL8042861 0.84 HCAR3 (0.48) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL8044411 0.83 KMT2A (0.55) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL8050220 0.83 MAPT (0.43) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL8047829 0.82 ALDH1A1 (0.40) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL8050295 0.82 ALDH1A1 (0.39) SMN1; SMN2KDM4ENFKB1NFKB2RELA

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