SCHEMBL7196663

SCHEMBL7196663

Cc1ccccc1C(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.74
MAPK12 P53778 10/20 0.74
MAPK11 Q15759 10/20 0.74
MAPK14 Q16539 10/20 0.74
MAPK1 P28482 1/20 0.57
AKR1B1 P15121 2/20 0.54
AKR1C4 P17516 2/20 0.54
AKR1C3 P42330 2/20 0.54
AKR1C2 P52895 2/20 0.54
AKR1C1 Q04828 2/20 0.54
EPAS1 Q99814 1/20 0.51
KCNMA1 Q12791 1/20 0.50
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL7196766 0.87 MAPK14 (0.79) MAPK13MAPK12MAPK11MAPK14KCNMA1
SCHEMBL6685253 0.87 MAPK14 (0.82) MAPK13MAPK12MAPK11MAPK14KCNMA1
SCHEMBL6655015 0.86 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL7198829 0.85 MAPK14 (0.79) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL7190935 0.84 MAPK14 (0.72) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL7193764 0.83 MAPK13 (0.76) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL7196772 0.81 MAPK14 (0.82) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL1907357 0.80 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6654915 0.79 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL7198680 0.79 MAPK13 (0.78) MAPK13MAPK12MAPK11MAPK14KCNMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202954-B1 NOVEL AMINOBENZOPHENONES LEO PHARMA AS (DK) 2003-10-01 EP disclosed
US-6624199-B1 Prophylaxis and treatment of acne and acne related skin diseases with aminobenzophenones, and novel compounds effective in the treatment, as well as pharmaceutical preparations containing these compounds and dosage units LEO PHARMACEUTICALS PRODUCTS LTD. A/S (DK) 2003-09-23 US disclosed
EP-1202954-A1 NOVEL AMINOBENZOPHENONES LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2002-05-08 EP disclosed
WO-2001005744-A1 NOVEL AMINOBENZOPHENONES Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 2001-01-25 WO disclosed