SCHEMBL6653033

SCHEMBL6653033

Cc1cc(C(=O)c2ccccc2)ccc1Nc1ccccc1N

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.76
MAPK12 P53778 9/20 0.76
MAPK11 Q15759 9/20 0.76
MAPK14 Q16539 9/20 0.76
ABCC9 O60706 2/20 0.51
ABCC8 Q09428 2/20 0.51
KCNJ11 Q14654 2/20 0.51
KCNJ8 Q15842 2/20 0.51
MAPT P10636 3/20 0.49
GAA P10253 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL6652857 0.86 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL27497519 0.83 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL27483181 0.83 MAPK13 (0.64) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL27498159 0.83 MAPK13 (0.64) MAPK13MAPK12MAPK11MAPK14ABCC9
SCHEMBL27497517 0.82 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL27497828 0.80 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14ABCC9
SCHEMBL6651389 0.79 AKR1C3 (0.59) MAPK13MAPK12MAPK11MAPK14ABCC9
SCHEMBL3978775 0.79 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL4609604 0.78 POLB (0.57) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6652732 0.78 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14MAPT

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-0966424-B1 AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF LEO PHARMA AS (DK) 2004-06-23 EP disclosed
US-6313174-B1 FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGY, RHEUMATOID ARTHRITIS, SPONDYLOARTHRITIS, GOUT, ATHEROSCLEROSIS, CHRONIC INFLAMMATORY BOWEL DISEASE, PROLIFERATIVE AND INFLAMMATORY SKIN DISORDERS Leo Pharmaceutical Products Ltd.A/S/ (Løvens kemiske Fabrik Produktionsaktieselskab) (DK) 2001-11-06 US disclosed