SCHEMBL8050233

SCHEMBL8050233

O=[N+]([O-])c1cnc(Sc2nccn2Cc2ccccc2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 5/20 0.56
MAPT P10636 5/20 0.56
HTT P42858 3/20 0.56
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPK1 P28482 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
TLR9 Q9NR96 3/20 0.47
S1PR4 O95977 2/20 0.47
S1PR1 P21453 2/20 0.47
AGTR1 P30556 2/20 0.47
HSP90AA1 P07900 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL6749888 0.79 MAPK8 (0.44) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL8608442 0.78 NPC1 (0.44) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL31090339 0.77 NPC1 (0.67) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL10394542 0.76 MEN1 (1.00) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL8042859 0.75 MAPK8 (0.57) MEN1KMT2AALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL10395337 0.75 MEN1 (0.98) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL8042079 0.74 MAPK8 (0.44) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL8051088 0.73 NPC1 (0.45) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL8046704 0.72 ALDH1A1 (0.60) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL8032483 0.71 MAPK8 (0.57) MEN1KMT2AALDH1A1MAPTHTT

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 3 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