SCHEMBL8044153

SCHEMBL8044153

Cc1ccc2nc(Sc3ncc([N+](=O)[O-])s3)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
ALDH1A1 P00352 6/20 0.51
HTT P42858 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
MMP13 P45452 2/20 0.46
MAPK1 P28482 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
S1PR4 O95977 1/20 0.44
HSP90AA1 P07900 1/20 0.44
S1PR1 P21453 1/20 0.44

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
SCHEMBL8044151 0.91 ALDH1A1 (0.44) MAPTALDH1A1HTTNPSR1HPGD
SCHEMBL8042824 0.86 CYP2D6 (0.51) MAPTALDH1A1HTTCYP1A2CYP2D6
SCHEMBL8042712 0.84 HTT (0.42) MAPTALDH1A1HTTNPSR1HPGD
SCHEMBL8042924 0.83 MAPT (0.52) MAPTALDH1A1HTTNPSR1HPGD
SCHEMBL8042820 0.79 MAPK8 (0.48) MAPTALDH1A1HTTNPSR1CYP1A2
SCHEMBL8042709 0.77 NPSR1 (0.42) MAPTALDH1A1HTTNPSR1HPGD
SCHEMBL8711276 0.74 RAB9A (0.38) MAPTALDH1A1HTTNPSR1HPGD
SCHEMBL8044319 0.74 MAPT (0.45) MAPTALDH1A1HTTNPSR1HPGD
SCHEMBL8044325 0.74 GUSB (0.47) MAPTALDH1A1HTTNPSR1MAPK1
SCHEMBL12585157 0.72 MAPT (0.58) MAPTALDH1A1HTTNPSR1HPGD

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