SCHEMBL6990067

SCHEMBL6990067

N#CCc1c([N+](=O)[O-])ccc2sc(-c3ccccc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ APP P05067 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MGAM O43451 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CTSB P07858 2/20 0.35
▸ NFKB1 P19838 3/20 0.35

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
SCHEMBL7000516 0.82 ALDH1A1 (0.42) HPGDALDH1A1APPMMP2MMP9
SCHEMBL8931204 0.79 APP (0.46) HPGDALDH1A1APPMMP2MMP9
SCHEMBL12479627 0.76 MEN1 (0.52) HPGDALDH1A1APPMMP2MMP9
SCHEMBL7002040 0.75 RAB9A (0.46) HPGDALDH1A1MMP2MMP9MMP8
Sulfurous Acid SCHEMBL27325826 0.74 APP (0.41) HPGDALDH1A1APPMMP2MMP9
SCHEMBL27462009 0.71 MGAM (0.48) HPGDALDH1A1APPMMP2MMP9
SCHEMBL7001469 0.70 MEN1 (0.46) HPGDALDH1A1MMP2MMP9MMP8
SCHEMBL5752634 0.69 ALDH1A1 (0.53) HPGDALDH1A1TDP1KDM4EGAA
SCHEMBL3417023 0.69 ALDH1A1 (0.65) HPGDALDH1A1TDP1MEN1KMT2A
SCHEMBL17111763 0.69 ALDH1A1 (0.49) HPGDALDH1A1TDP1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1159315-C 4, 5-pyrrolooxindoles - 2004-07-28 — — CN disclosed
EP-1149106-B1 4,5-AZOLO-OXINDOLES HOFFMANN LA ROCHE (CH) 2003-03-19 — — EP disclosed
CN-1330654-A 4,5-pyrrolo-oxindoles HOFFMANN LA ROCHE (DE) 2002-01-09 — — CN disclosed
EP-1149106-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 — — EP disclosed
US-6197804-B1 KINASE INHIBITORS; ANTICANCER AGENTS HOFFMANN-LA ROCHE INC. 2001-03-06 — — US disclosed
US-6153634-A FOR THERAPY AND PROPHYLAXIS OF CANCER TUMORS; INHIBITOR OFCYCLIN-DEPENDENT KINASES (CDKS) HOFFMANN-LA ROCHE INC. (US) 2000-11-28 — — US disclosed
WO-2000035920-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 — — WO disclosed
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