SCHEMBL27497828

SCHEMBL27497828

Nc1ccccc1Nc1ccc(C(=O)c2ccccc2)cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.59
MAPK12 P53778 7/20 0.59
MAPK11 Q15759 7/20 0.59
MAPK14 Q16539 7/20 0.59
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
PTGS1 P23219 2/20 0.47
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABCC9 O60706 4/20 0.43
ABCC8 Q09428 4/20 0.43
KCNJ11 Q14654 4/20 0.43

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
SCHEMBL27498159 0.82 MAPK13 (0.64) MAPK13MAPK12MAPK11MAPK14HDAC3
SCHEMBL27497520 0.80 AKR1C3 (0.53) AKR1C3AKR1C2MAPK1ALDH1A1GAA
SCHEMBL7871444 0.80 PBRM1 (0.51) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL27483181 0.80 MAPK13 (0.64) MAPK13MAPK12MAPK11MAPK14HDAC3
SCHEMBL6653033 0.80 MAPK13 (0.76) MAPK13MAPK12MAPK11MAPK14HDAC3
SCHEMBL27497517 0.78 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14HDAC3
SCHEMBL27497519 0.77 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14HDAC3
SCHEMBL6654792 0.77 MAPK13 (0.68) MAPK13MAPK12MAPK11MAPK14PTGS1
SCHEMBL3978775 0.75 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14HDAC3
SCHEMBL6652827 0.74 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1188388-C Aminobenzophenones as inhibitors of interleukin and TNF LEO PHARM PROD LTD (DK) 2005-02-09 CN disclosed