SCHEMBL8042816

SCHEMBL8042816

CCOC(=O)c1nc(Sc2ncc([N+](=O)[O-])s2)n(C2CCCCC2)c1C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.39
MAPK9 P45984 8/20 0.39
OGFRL1 Q5TC84 4/20 0.39
OPRM1 P35372 3/20 0.39
OPRK1 P41145 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TLR9 Q9NR96 3/20 0.39
OPRD1 P41143 2/20 0.39
AGTR1 P30556 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK10 P53779 2/20 0.36
CASP3 P42574 1/20 0.36
S1PR4 O95977 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
S1PR1 P21453 2/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36

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
SCHEMBL7809014 0.73 MAPK8 (0.44) MAPK8MAPK9NPC1RAB9ATLR9
SCHEMBL8043240 0.72 NPC1 (0.50) MAPK8MAPK9NPC1RAB9ATLR9
SCHEMBL8042247 0.71 MAPK8 (0.45) MAPK8MAPK9NPC1RAB9ATLR9
SCHEMBL8048488 0.69 OGFRL1 (0.47) OGFRL1OPRM1OPRK1OPRD1CASP3
SCHEMBL8045231 0.68 MAPK8 (0.45) MAPK8MAPK9NPC1RAB9ATLR9
SCHEMBL8043303 0.68 MAPK8 (0.46) MAPK8MAPK9NPC1RAB9ATLR9
SCHEMBL8051897 0.67 RAB9A (0.41) MAPK8MAPK9NPC1RAB9ATLR9
SCHEMBL8033917 0.65 MAPK8 (0.56) MAPK8MAPK9NPC1RAB9ATLR9
SCHEMBL8033585 0.65 MAPK8 (0.56) MAPK8MAPK9NPC1RAB9ATLR9
Ethyl Acetate SCHEMBL8033586 0.64 MAPK8 (0.54) MAPK8MAPK9NPC1RAB9ATLR9

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