SCHEMBL9706058

SCHEMBL9706058

Nc1ccc(C(=O)c2cccc(N)c2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
ABCB11 O95342 1/20 0.46
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
ADORA1 P30542 1/20 0.46
PTGS2 P35354 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
MAPK14 Q16539 2/20 0.42
MMP2 P08253 1/20 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
SCHEMBL9737659 0.87 LIG1 (0.56) GAAMAPTABCB11LMNAPTGS1
SCHEMBL29786713 0.86 MAPT (0.74) GAAMAPTABCB11LMNAPTGS1
SCHEMBL112508 0.86 MAPT (0.74) GAAMAPTABCB11LMNAPTGS1
Benzene SCHEMBL28303083 0.86 MAPT (0.74) GAAMAPTABCB11LMNAPTGS1
SCHEMBL7743794 0.85 MAPT (0.52) GAAMAPTABCB11LMNAPTGS1
SCHEMBL28282156 0.85 MAPT (0.71) GAAMAPTABCB11LMNAPTGS1
SCHEMBL6541212 0.84 GAA (0.47) GAAMAPTABCB11LMNAPTGS1
SCHEMBL3178977 0.84 MAPT (0.77) GAAMAPTCA1CA2CA9
SCHEMBL29364222 0.84 MAPT (0.77) GAAMAPTCA1CA2CA9
SCHEMBL686612 0.83 MAPT (0.50) GAAMAPTABCB11LMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113302227-A Composition and metal insulating coating material 三菱化学株式会社 2021-08-24 CN disclosed
CN-111788176-A Compound, resin, composition, and film-forming material for lithography using same 三菱瓦斯化学株式会社 2020-10-16 CN disclosed
EP-0194529-B1 USE OF 2-(AMINOPHENYL)-BENZIMIDAZOLE DERIVATIVES IN THE PREPARATION OF MEDICAMENTS FOR COMBATING MALIGN AND NON-MALIGN PROLIFERATIVE AS WELL AS AUTO-IMMUNE DISEASES AND IN IMMUNOSUPPRESSION IN TRANSPLANTATIONS GÖDECKE AKTIENGESELLSCHAFT (DE) 1992-09-02 EP disclosed