SCHEMBL8032474

SCHEMBL8032474

O=C(O)Cn1nnnc1Sc1ncc([N+](=O)[O-])s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 4/20 0.47
TLR9 Q9NR96 3/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
S1PR4 O95977 2/20 0.47
S1PR1 P21453 2/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 2/20 0.47
MAPK8 P45983 9/20 0.46
MAPK9 P45984 9/20 0.46
MAPK10 P53779 2/20 0.46
AGTR1 P30556 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HSP90AA1 P07900 1/20 0.43
RXFP1 Q9HBX9 1/20 0.37
CASP6 P55212 1/20 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
SCHEMBL8033453 0.84 NPC1 (0.58) NPC1RAB9AALDH1A1TLR9MAPT
SCHEMBL8046047 0.82 NPC1 (0.53) NPC1RAB9AALDH1A1TLR9MAPT
SCHEMBL6749888 0.82 MAPK8 (0.44) NPC1RAB9AALDH1A1TLR9MAPT
SCHEMBL8050212 0.81 RAB9A (0.60) NPC1RAB9AALDH1A1TLR9MAPT
SCHEMBL8051020 0.81 KDM4C (0.38) NPC1RAB9AALDH1A1MAPTMAPK1
SCHEMBL8041806 0.81 KMT2A (0.38) NPC1RAB9AALDH1A1MAPTTDP1
SCHEMBL8043339 0.81 NPC1 (0.52) NPC1RAB9AALDH1A1TLR9MAPT
SCHEMBL8051088 0.80 NPC1 (0.45) NPC1RAB9AALDH1A1TLR9MAPT
SCHEMBL8044040 0.78 MAPK8 (0.52) NPC1RAB9AALDH1A1TLR9MAPT
SCHEMBL8032939 0.78 NPC1 (0.47) NPC1RAB9AALDH1A1TLR9MAPT

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 5 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 claimed
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