SCHEMBL6626480

SCHEMBL6626480

NC(=O)Oc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.51
▸ ADRA2B P18089 2/20 0.51
▸ ADRA2C P18825 2/20 0.51
▸ HSPB1 P04792 2/20 0.51
▸ CYP2C19 P33261 2/20 0.48
▸ MAPT P10636 4/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ GAA P10253 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ PABPC1 P11940 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ SLC2A1 P11166 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ LMNA P02545 2/20 0.41

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
SCHEMBL4716493 0.85 HSPB1 (0.66) ADRA2AADRA2BADRA2CHSPB1CYP2C19
SCHEMBL17633311 0.85 HSPB1 (0.53) ADRA2AADRA2BADRA2CHSPB1CYP2C19
SCHEMBL27888023 0.83 GAA (0.54) ADRA2AADRA2BADRA2CHSPB1CYP2C19
SCHEMBL27541463 0.78 MAPT (0.50) HSPB1CYP2C19MAPTMEN1KMT2A
SCHEMBL2728550 0.78 CYP2C19 (0.47) HSPB1CYP2C19MAPTNPSR1GAA
SCHEMBL27449389 0.78 HSPB1 (0.70) ADRA2AADRA2BADRA2CHSPB1CYP2C19
SCHEMBL17633171 0.77 CYP2C19 (0.52) ADRA2AADRA2BADRA2CHSPB1CYP2C19
SCHEMBL27799597 0.76 CYP2C19 (0.55) HSPB1CYP2C19MAPTNPSR1GAA
SCHEMBL30850667 0.75 KMT2A (0.70) ADRA2AADRA2BADRA2CHSPB1CYP2C19
SCHEMBL1851173 0.75 KMT2A (0.70) ADRA2AADRA2BADRA2CHSPB1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3956322-A1 JAK1 SELECTIVE KINASE INHIBITOR DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2022-02-23 — — EP disclosed
WO-2020211839-A1 JAK1 SELECTIVE KINASE INHIBITOR DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-10-22 — — WO disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 — — EP disclosed
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 — — EP disclosed
EP-1395576-A1 4-(PHENYL-PIPERIDIN-4-YLIDENE-METHYL)-BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2004-03-10 — — EP disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 — — WO disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 — — WO disclosed
WO-2002094812-A1 4-(PHENYL-PIPERIDIN-4-YLIDENE-METHYL)-BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2002-11-28 — — WO disclosed
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