SCHEMBL7196618

SCHEMBL7196618

CCCCc1ccc(C(=O)c2ccc(Nc3ccc(Br)cc3[N+](=O)[O-])cc2Cl)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.55
MAPK12 P53778 9/20 0.55
MAPK11 Q15759 9/20 0.55
MAPK14 Q16539 9/20 0.55
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.41
PKM P14618 1/20 0.38
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6397857 0.85 MAPK14 (0.69) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL7196080 0.85 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL7195483 0.84 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL7198676 0.83 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL7198829 0.83 MAPK14 (0.79) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL7196956 0.83 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL6824668 0.82 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL6910297 0.81 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL7210815 0.81 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL6820954 0.80 MAPK1 (0.48) MAPK13MAPK12MAPK11MAPK14LMNA

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 2 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