SCHEMBL8034759

SCHEMBL8034759

O=[N+]([O-])c1cnc(Sc2nnnn2-c2ccc(F)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TLR9 Q9NR96 3/20 0.47
S1PR4 O95977 2/20 0.47
S1PR1 P21453 2/20 0.47
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
AGTR1 P30556 2/20 0.47
HSP90AA1 P07900 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
MAPK8 P45983 4/20 0.45
MAPK9 P45984 4/20 0.45
MAPK10 P53779 2/20 0.45
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 3/20 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
SCHEMBL8044886 0.89 MAPK8 (0.51) MAPTALDH1A1HTTNPC1RAB9A
SCHEMBL8049908 0.89 ALDH1A1 (0.47) MAPTALDH1A1HTTNPC1RAB9A
SCHEMBL8045048 0.89 MAPT (0.47) MAPTALDH1A1HTTNPC1RAB9A
SCHEMBL8046704 0.88 ALDH1A1 (0.60) MAPTALDH1A1HTTNPC1RAB9A
SCHEMBL8048168 0.87 ALDH1A1 (0.45) MAPTALDH1A1HTTNPC1RAB9A
SCHEMBL8050630 0.86 MAPK8 (0.46) MAPTALDH1A1HTTNPC1RAB9A
SCHEMBL8050651 0.86 MAPT (0.44) MAPTALDH1A1HTTNPC1RAB9A
SCHEMBL8032471 0.86 MAPK8 (0.52) MAPTALDH1A1HTTNPC1RAB9A
SCHEMBL8032469 0.86 RECQL (0.57) MAPTALDH1A1HTTNPC1RAB9A
SCHEMBL8032487 0.86 ALDH1A1 (0.44) MAPTALDH1A1HTTNPC1RAB9A

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