SCHEMBL8043240

SCHEMBL8043240

CCOC(=O)c1cnc(Sc2ncc([N+](=O)[O-])s2)n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TLR9 Q9NR96 3/20 0.50
AGTR1 P30556 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK8 P45983 7/20 0.47
MAPK9 P45984 7/20 0.47
MAPK10 P53779 1/20 0.44
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.42
S1PR4 O95977 2/20 0.42
S1PR1 P21453 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSP90AA1 P07900 1/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL8043077 0.88 MAPT (0.54) NPC1RAB9ATLR9AGTR1MEN1
SCHEMBL1978459 0.73 MAPT (0.47) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL8043303 0.73 MAPK8 (0.46) NPC1RAB9ATLR9AGTR1MEN1
SCHEMBL12381781 0.73 SMN1; SMN2 (0.52) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8051212 0.73 NPC1 (0.61) NPC1RAB9ATLR9AGTR1MEN1
SCHEMBL8033585 0.72 MAPK8 (0.56) NPC1RAB9ATLR9AGTR1MEN1
SCHEMBL8033917 0.72 MAPK8 (0.56) NPC1RAB9ATLR9AGTR1MEN1
SCHEMBL8042247 0.72 MAPK8 (0.45) NPC1RAB9ATLR9AGTR1MEN1
SCHEMBL8042816 0.72 MAPK8 (0.39) NPC1RAB9ATLR9AGTR1MEN1
SCHEMBL10090832 0.72 SMN1; SMN2 (0.54) NPC1RAB9AMEN1KMT2AMAPT

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