SCHEMBL7002040

SCHEMBL7002040

N#CCc1c([N+](=O)[O-])ccc2oc(-c3ccccc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 6/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ HPGD P15428 1/20 0.42
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ HSPD1 P10809 2/20 0.39
▸ PTPN2 P17706 2/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ PTPN5 P54829 2/20 0.39
▸ HSPE1 P61604 2/20 0.39
▸ THRB P10828 1/20 0.37
▸ MYC P01106 1/20 0.37

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
SCHEMBL7001469 0.81 MEN1 (0.46) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL6990067 0.75 HPGD (0.43) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL7000516 0.69 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5752634 0.68 ALDH1A1 (0.53) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL3417023 0.68 ALDH1A1 (0.65) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL7111564 0.68 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL17111763 0.68 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5831917 0.68 MMP2 (0.55) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL15413444 0.67 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL2243651 0.65 MMP2 (0.51) RAB9ANPC1SMN1; SMN2MAPTMEN1

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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