SCHEMBL8655908

SCHEMBL8655908

CC(C)Oc1ccc([N+](=O)[O-])c(CC#N)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
TXNRD1 Q16881 13/20 0.41
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSB P07858 2/20 0.35
GSR P00390 1/20 0.34
S1PR4 O95977 1/20 0.33
MAPT P10636 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33
PAX8 Q06710 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDK1 Q15118 1/20 0.33

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
SCHEMBL3219042 0.86 TXNRD1 (0.52) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL9379235 0.78 ALDH1A1 (0.46) ALDH1A1HPGDGAACTSBMAPT
SCHEMBL8654025 0.77 MAPK8 (0.32) ALDH1A1MAPT
SCHEMBL2258349 0.76 PIN1 (0.46) ALDH1A1HPGDTXNRD1GAAL3MBTL1
SCHEMBL8657532 0.75 ALDH1A1 (0.46) ALDH1A1HPGDTXNRD1GAAL3MBTL1
SCHEMBL9376848 0.74 TXNRD1 (0.46) ALDH1A1HPGDTXNRD1GAAL3MBTL1
SCHEMBL27257741 0.74 ALDH1A1 (0.43) ALDH1A1HPGDTXNRD1GAAL3MBTL1
SCHEMBL17372594 0.74 TXNRD1 (0.48) ALDH1A1TXNRD1CTSBGSRS1PR4
SCHEMBL29210876 0.74 TXNRD1 (0.48) ALDH1A1TXNRD1CTSBGSRS1PR4
SCHEMBL14334130 0.74 L3MBTL1 (0.41) ALDH1A1TXNRD1L3MBTL1MAPTMAPK1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811432-A Azaoxindole derivatives PFIZER INC (US) 1998-09-22 US disclosed
CN-1031053-C Azaoxindole derivatives PFIZER (US) 1996-02-21 CN disclosed
CN-1025998-C 3-(1,2,5,6-tetrahydropyridyl)-pyrrolopyridines PFIZER (US) 1994-09-28 CN disclosed
EP-0379314-B1 3-(1,2,5,6-Tetrahydropyridyl)-pyrrolopyridines PFIZER (US) 1994-03-23 EP disclosed
US-5169947-A 3-(1,2,5,6-tetrahydropyridyl)-pyrrolopyridines PFIZER INC. (US) 1992-12-08 US disclosed
US-5051412-A Pharmaceutically active 3-(1,2,5,6-tetrahydropyridyl)-pyrrolopyridines PFIZER INC. (US) 1991-09-24 US disclosed
CN-1053065-A AZAOXINDOLE DERIVATIVES PFIZER (US) 1991-07-17 CN disclosed
WO-1991009598-A1 AZAOXINDOLE DERIVATIVES PFIZER INC. (US) 1991-07-11 WO disclosed
EP-0436333-A2 Azaoxindole derivatives PFIZER INC. (US) 1991-07-10 EP disclosed
CN-1044465-A 3-(1,2,5, the 6-tetrahydro pyridyl)-pyrrolopyridine PFIZER (US) 1990-08-08 CN disclosed
WO-1990007926-A1 3-(1,2,5,6-TETRAHYDROPYRIDYL)-PYRROLOPYRIDINES PFIZER INC. (US) 1990-07-26 WO disclosed
EP-0379314-A1 3-(1,2,5,6-Tetrahydropyridyl)-pyrrolopyridines PFIZER INC. (US) 1990-07-25 EP disclosed