SCHEMBL8042507

SCHEMBL8042507

O=C(Sc1nnc(Sc2ncc([N+](=O)[O-])s2)s1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 9/20 0.56
MAPK8 P45983 8/20 0.56
MAPK10 P53779 1/20 0.56
NPC1 O15118 5/20 0.46
MAPT P10636 5/20 0.46
RAB9A P51151 5/20 0.46
NPSR1 Q6W5P4 3/20 0.46
HTT P42858 3/20 0.46
ALDH1A1 P00352 2/20 0.46
S1PR4 O95977 1/20 0.46
HSP90AA1 P07900 1/20 0.46
S1PR1 P21453 1/20 0.46
MAPK1 P28482 1/20 0.46
AGTR1 P30556 1/20 0.46
TLR9 Q9NR96 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL11430427 0.82 MAPK8 (0.79) MAPK9MAPK8MAPK10NPC1MAPT
SCHEMBL8042773 0.78 MAPK8 (0.61) MAPK9MAPK8MAPK10NPC1MAPT
SCHEMBL8037988 0.76 MAPK8 (0.50) MAPK9MAPK8MAPK10NPC1MAPT
SCHEMBL8048648 0.75 MAPK8 (0.69) MAPK9MAPK8MAPK10NPC1MAPT
SCHEMBL8032483 0.75 MAPK8 (0.57) MAPK9MAPK8MAPK10NPC1MAPT
SCHEMBL8047682 0.75 MAPK8 (0.63) MAPK9MAPK8MAPK10NPC1MAPT
SCHEMBL8050472 0.74 MAPK8 (0.60) MAPK9MAPK8MAPK10NPC1MAPT
SCHEMBL8033216 0.74 MAPK8 (0.56) MAPK9MAPK8MAPK10NPC1MAPT
Hydroquinone SCHEMBL8042120 0.73 MAPK8 (0.59) MAPK9MAPK8MAPK10NPC1MAPT
Acetic Acid Phenyl Ester SCHEMBL8037992 0.73 MAPK8 (0.49) MAPK9MAPK8MAPK10NPC1MAPT

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