SCHEMBL8809976

SCHEMBL8809976

C/C(O)=C(\C#N)C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.63
TP53 P04637 1/20 0.55
MAPK10 P53779 1/20 0.55
ALDH1A1 P00352 5/20 0.49
RAB9A P51151 2/20 0.49
ABCC9 O60706 1/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
KCNJ8 Q15842 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 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
SCHEMBL8811754 1.00 DHODH (0.63) DHODHTP53MAPK10ALDH1A1RAB9A
SCHEMBL5914911 0.93 DHODH (0.71) DHODHTP53MAPK10ALDH1A1RAB9A
SCHEMBL5914910 0.93 DHODH (0.71) DHODHTP53MAPK10ALDH1A1RAB9A
SCHEMBL9080958 0.89 DHODH (0.74) DHODHALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL8810121 0.89 DHODH (0.74) DHODHALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL8812418 0.87 DHODH (0.63) DHODHTP53ALDH1A1RAB9AL3MBTL1
SCHEMBL9081360 0.87 DHODH (0.63) DHODHTP53ALDH1A1RAB9AL3MBTL1
SCHEMBL9080385 0.86 DHODH (0.62) DHODHALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL8811901 0.86 DHODH (0.62) DHODHALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL9080225 0.86 DHODH (0.62) DHODHALDH1A1RAB9AL3MBTL1MEN1

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-0527736-B1 ISOXAZOLE-4-CARBOXAMIDES AND HYDROXYALKYLIDENE-CYANOACETAMIDES, DRUGS CONTAINING THESE COMPOUNDS AND USE OF SUCH DRUGS HOECHST AG (DE) 1997-04-16 EP claimed
EP-0527736-A1 ISOXAZOLE-4-CARBOXAMIDES AND HYDROXYALKYLIDENE-CYANOACETAMIDES, DRUGS CONTAINING THESE COMPOUNDS AND USE OF SUCH DRUGS. HOECHST AG (DE) 1993-02-24 EP claimed
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 claimed
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