SCHEMBL8809992

SCHEMBL8809992

CC/C(O)=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
MAPT P10636 6/20 0.55
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
PKM P14618 1/20 0.46
PAX8 Q06710 1/20 0.46
ALDH1A1 P00352 1/20 0.46
DHODH Q02127 1/20 0.46
NAMPT P43490 1/20 0.46
MITF O75030 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL9079723 1.00 POLB (0.57) POLBMAPTKMT2AMEN1CA12
SCHEMBL4960442 0.82 MAPT (0.55) POLBMAPTKMT2AMEN1NPC1
SCHEMBL9176622 0.82 POLB (0.50) POLBMAPTKMT2AMEN1CA12
SCHEMBL9176618 0.82 POLB (0.50) POLBMAPTKMT2AMEN1CA12
SCHEMBL8811773 0.81 TP53 (0.54) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL9081774 0.81 TP53 (0.54) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL11497034 0.78 MEN1 (0.51) POLBMAPTKMT2AMEN1CA12
SCHEMBL11497036 0.78 MEN1 (0.51) POLBMAPTKMT2AMEN1CA12
SCHEMBL13529056 0.77 DHODH (0.73) KMT2AMEN1NPC1RAB9ADHODH
SCHEMBL9079574 0.75 MEN1 (0.54) POLBMAPTKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1051074-C Isoxazole-4-carboxamides and hydroxyalkylidenecyanoacetamides pharmaceuticals containing these compounds and their use HOECHST AG (DE) 2000-04-05 CN disclosed
EP-0527736-B1 ISOXAZOLE-4-CARBOXAMIDES AND HYDROXYALKYLIDENE-CYANOACETAMIDES, DRUGS CONTAINING THESE COMPOUNDS AND USE OF SUCH DRUGS HOECHST AG (DE) 1997-04-16 EP disclosed
US-5532259-A ANTITUMOR HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-02 US disclosed
US-5494911-A TREATING LEUKEMIA, SARCOMA, CARCINOMA, LYMPHOMA, SKIN CANCER HOECHST AKTIENGESELLSCHAFT (DE) 1996-02-27 US disclosed
CN-1056684-A Different  azoles-4-carboxylic acid amides and hydroxy alkylidene Malonamide nitrile contains the medicine of these compounds and their application HOECHST AG (DE) 1991-12-04 CN disclosed
WO-1991017748-A1 ISOXAZOLE-4-CARBOXAMIDES AND HYDROXYALKYLIDENE-CYANOACETAMIDES, DRUGS CONTAINING THESE COMPOUNDS AND USE OF SUCH DRUGS HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-28 WO disclosed