SCHEMBL8042924

SCHEMBL8042924

O=[N+]([O-])c1cnc(Sc2nc3ccccc3[nH]2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.52
ALDH1A1 P00352 6/20 0.52
ATM Q13315 1/20 0.52
LMNA P02545 7/20 0.48
HTT P42858 5/20 0.48
NPSR1 Q6W5P4 4/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
CCR6 P51684 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
S1PR4 O95977 2/20 0.48
S1PR1 P21453 2/20 0.48
HSP90AA1 P07900 1/20 0.48
MAPK1 P28482 1/20 0.48
AGTR1 P30556 1/20 0.48
TLR9 Q9NR96 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL8044319 0.84 MAPT (0.45) MAPTALDH1A1ATMLMNAHTT
SCHEMBL8044325 0.84 GUSB (0.47) MAPTALDH1A1HTTNPSR1NPC1
SCHEMBL8044151 0.83 ALDH1A1 (0.44) MAPTALDH1A1ATMLMNAHTT
SCHEMBL8044153 0.83 MAPT (0.51) MAPTALDH1A1LMNAHTTNPSR1
SCHEMBL8042709 0.81 NPSR1 (0.42) MAPTALDH1A1ATMLMNAHTT
SCHEMBL8042820 0.81 MAPK8 (0.48) MAPTALDH1A1ATMLMNAHTT
SCHEMBL8042824 0.81 CYP2D6 (0.51) MAPTALDH1A1LMNAHTTNPC1
SCHEMBL8042712 0.81 HTT (0.42) MAPTALDH1A1LMNAHTTNPSR1
SCHEMBL2105948 0.77 KMT2A (0.44) MAPTALDH1A1ATMHPGDNPC1
SCHEMBL11884806 0.75 MMP2 (0.53) MAPTALDH1A1LMNANPSR1HPGD

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