SCHEMBL7001469

SCHEMBL7001469

N#CCc1c([N+](=O)[O-])ccc2nc(-c3ccccc3)oc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ MAPT P10636 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ F2 P00734 1/20 0.43
▸ C1R P00736 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ ELANE P08246 2/20 0.40
▸ DHODH Q02127 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
▸ KLK3 P07288 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL7002040 0.81 RAB9A (0.46) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL18894336 0.74 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL7000516 0.74 ALDH1A1 (0.42) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL16901142 0.74 MEN1 (0.60) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL5752634 0.71 ALDH1A1 (0.53) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL18915053 0.71 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL6990067 0.70 HPGD (0.43) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL3417023 0.68 ALDH1A1 (0.65) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL17111763 0.68 ALDH1A1 (0.49) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL5831917 0.68 MMP2 (0.55) MEN1KMT2AMAPTALDH1A1NPC1

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
EP-1149106-B1 4,5-AZOLO-OXINDOLES HOFFMANN LA ROCHE (CH) 2003-03-19 — — EP 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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