SCHEMBL8046704

SCHEMBL8046704

O=[N+]([O-])c1cnc(Sc2nnnn2-c2ccccc2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.60
MAPT P10636 8/20 0.60
HTT P42858 8/20 0.60
PKM P14618 2/20 0.60
GAA P10253 1/20 0.60
LMNA P02545 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
USP2 O75604 1/20 0.52
ALPG P10696 1/20 0.52
KMT2A Q03164 4/20 0.50
HPGD P15428 4/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 5/20 0.49
TP53 P04637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MITF O75030 1/20 0.48
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47

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
SCHEMBL8046323 0.90 ALDH1A1 (0.50) ALDH1A1MAPTHTTPKMGAA
SCHEMBL8045713 0.89 ALDH1A1 (0.48) ALDH1A1MAPTHTTPKMGAA
SCHEMBL8034759 0.88 MAPT (0.47) ALDH1A1MAPTHTTPKMGAA
SCHEMBL8045048 0.88 MAPT (0.47) ALDH1A1MAPTHTTPKMGAA
SCHEMBL8049908 0.88 ALDH1A1 (0.47) ALDH1A1MAPTHTTPKMGAA
SCHEMBL8044886 0.88 MAPK8 (0.51) ALDH1A1MAPTHTTPKMGAA
SCHEMBL8032469 0.88 RECQL (0.57) ALDH1A1MAPTHTTPKMGAA
SCHEMBL8032753 0.87 SMN1; SMN2 (0.51) ALDH1A1MAPTHTTPKMGAA
SCHEMBL8048168 0.86 ALDH1A1 (0.45) ALDH1A1MAPTHTTPKMGAA
SCHEMBL8033042 0.86 MAPT (0.46) ALDH1A1MAPTHTTPKMGAA

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 7 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
WO-2008118626-A9 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INST MEDICAL RESEARCH (US) 2008-12-18 WO disclosed
WO-2008118626-A2 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2008-10-02 WO disclosed
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