SCHEMBL6905073

SCHEMBL6905073

Cc1cc(F)ccc1C(=O)c1ccc(Nc2ccc(Br)cc2N(C(=O)O)C2CCCC2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.55
MAPK12 P53778 11/20 0.55
MAPK11 Q15759 11/20 0.55
MAPK14 Q16539 11/20 0.55
ALDH1A1 P00352 2/20 0.38
AVPR2 P30518 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6905074 0.90 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL6903356 0.87 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL6904590 0.85 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL6905033 0.83 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14TP53
SCHEMBL6906583 0.82 AKR1C3 (0.42) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL1904469 0.82 MAPK13 (0.76) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL6400902 0.81 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL6905610 0.80 MAPK13 (0.64) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL6398555 0.79 MAPK14 (0.77) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL6905617 0.79 MAPK14 (0.65) MAPK13MAPK12MAPK11MAPK14AVPR2

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
EP-1202959-B1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1-BETA AND TNF-ALPHA LEO PHARMA AS (DK) 2004-09-29 EP claimed