SCHEMBL8042712

SCHEMBL8042712

O=[N+]([O-])c1cnc(Sc2nc3ccc(S(=O)(=O)O)cc3[nH]2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.42
NPSR1 Q6W5P4 4/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
S1PR4 O95977 3/20 0.42
S1PR1 P21453 3/20 0.42
NPC1 O15118 2/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 2/20 0.42
TLR9 Q9NR96 2/20 0.42
HSP90AA1 P07900 1/20 0.42
AGTR1 P30556 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SIRT4 Q9Y6E7 4/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CCR6 P51684 1/20 0.41
MAPK8 P45983 5/20 0.40
MAPK9 P45984 5/20 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
SCHEMBL8042709 0.92 NPSR1 (0.42) HTTNPSR1MAPTALDH1A1S1PR4
SCHEMBL8044153 0.84 MAPT (0.51) HTTNPSR1MAPTALDH1A1S1PR4
SCHEMBL8042824 0.81 CYP2D6 (0.51) HTTMAPTALDH1A1NPC1RAB9A
SCHEMBL8042924 0.81 MAPT (0.52) HTTNPSR1MAPTALDH1A1S1PR4
SCHEMBL8044151 0.77 ALDH1A1 (0.44) HTTNPSR1MAPTALDH1A1S1PR4
SCHEMBL8042820 0.74 MAPK8 (0.48) HTTNPSR1MAPTALDH1A1S1PR4
SCHEMBL8044325 0.71 GUSB (0.47) HTTNPSR1MAPTALDH1A1S1PR4
SCHEMBL8044319 0.71 MAPT (0.45) HTTNPSR1MAPTALDH1A1S1PR4
SCHEMBL8711276 0.70 RAB9A (0.38) HTTNPSR1MAPTALDH1A1S1PR4
SCHEMBL10765132 0.69 HDAC6 (0.53) MAPTALDH1A1NPC1MAPK1RAB9A

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 4 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 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