SCHEMBL8032753

SCHEMBL8032753

O=[N+]([O-])c1cnc(Sc2nnnn2-c2cccc(O)c2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.46
HTT P42858 4/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 3/20 0.42
USP2 O75604 1/20 0.42
ALPG P10696 1/20 0.42
MAPK8 P45983 3/20 0.42
MAPK9 P45984 3/20 0.42
MAPK10 P53779 2/20 0.42
MAPK1 P28482 3/20 0.42
MITF O75030 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 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
SCHEMBL8045048 0.87 MAPT (0.47) SMN1; SMN2ALDH1A1MAPTHTTGAA
SCHEMBL8046704 0.87 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1MAPTHTTGAA
SCHEMBL8044444 0.85 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MAPTHTTGAA
SCHEMBL8045713 0.83 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MAPTHTTGAA
SCHEMBL8049908 0.83 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPTHTTGAA
SCHEMBL8034759 0.81 MAPT (0.47) SMN1; SMN2ALDH1A1MAPTHTTGAA
SCHEMBL8044886 0.81 MAPK8 (0.51) SMN1; SMN2ALDH1A1MAPTHTTGAA
SCHEMBL8032469 0.80 RECQL (0.57) SMN1; SMN2ALDH1A1MAPTHTTGAA
SCHEMBL31090337 0.79 MAPK8 (0.66) SMN1; SMN2ALDH1A1MAPTHTTGAA
SCHEMBL31090323 0.79 MAPK8 (0.58) SMN1; SMN2ALDH1A1MAPTHTTGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143765-A ENZYME IHIBITORS OF PROTEIN SUGEN, INC. (US) 2000-11-07 US claimed
US-6143765-A ENZYME IHIBITORS OF PROTEIN SUGEN, INC. (US) 2000-11-07 US disclosed
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
US-5883110-A ORGANIC MOLECULES CAPABLE OF INHIBITING PROTEIN TYROSINE PHOSPHATASE ACTIVITY, AND THE USE OF SUCH MOLECULES TO TREAT VARIOUS DISEASE STATES INCLUDING DIABETES MELLITUS, GLIOMA, MELANOMA, KAPOSI'S SARCOMA, HEMANGIOMA, OVARIAN CANCER, BREAST SUGEN, INC. (US) 1999-03-16 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed