SCHEMBL8033976

SCHEMBL8033976

O=C(O)c1ccc2nc(Sc3nnnn3-c3sccc3Cl)sc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
HPGD P15428 6/20 0.39
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 3/20 0.38
RELA Q04206 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 5/20 0.38
MAPT P10636 6/20 0.38
POLB P06746 3/20 0.37
NPC1 O15118 2/20 0.36
MITF O75030 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
GFER P55789 1/20 0.36
PAX8 Q06710 1/20 0.36

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
SCHEMBL8710077 0.92 MEN1 (0.40) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL8042895 0.89 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHPGDNFKB1
SCHEMBL8042637 0.83 HPGD (0.41) ALDH1A1MEN1KMT2AHPGDNFKB1
SCHEMBL8033820 0.83 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHPGDNFKB1
SCHEMBL8042685 0.82 NFKB1 (0.42) ALDH1A1MEN1KMT2AHPGDNFKB1
SCHEMBL8043651 0.82 MAPT (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8048299 0.82 PKM (0.39) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL8044411 0.82 KMT2A (0.55) ALDH1A1MEN1KMT2AHPGDNFKB1
SCHEMBL8711532 0.82 NPC1 (0.38) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL8046990 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AHPGDSMN1; SMN2KDM4E

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