SCHEMBL7020840

SCHEMBL7020840

[CH2]CCc1ccc(-c2ccncc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 7/20 0.52
CYP11B1 P15538 6/20 0.52
CYP21A2 P08686 1/20 0.52
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
CYP11B2 P19099 5/20 0.45
CYP19A1 P11511 3/20 0.45
CYP3A4 P08684 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.43
LSS P48449 1/20 0.43
NOTUM Q6P988 1/20 0.42
KIF11 P52732 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NFKB1 P19838 1/20 0.39
S1PR1 P21453 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL59586 0.85
SCHEMBL4711443 0.81 MAPT (0.55) CYP17A1CYP11B1CYP21A2MAPTLMNA
SCHEMBL11927943 0.77 CYP3A4 (0.52) CYP17A1CYP11B1CYP21A2MAPTLMNA
SCHEMBL1129624 0.77 CYP17A1 (0.52) CYP17A1CYP11B1CYP21A2MAPTLMNA
SCHEMBL21540874 0.77 LOXL2 (0.74) CYP17A1CYP11B1CYP21A2MAPTLMNA
SCHEMBL2745550 0.77 GFER (0.42) ALDH1A1
SCHEMBL1005387 0.76 FFAR1 (0.54) LMNAMMP12MMP13ALDH1A1
SCHEMBL5682116 0.74 MAOB (0.59) LSS
SCHEMBL6626055 0.74 MAOB (0.59) CYP17A1CYP11B1CYP21A2LOXL2
SCHEMBL27900208 0.74 MAOB (0.63) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998454-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-03-26 EP claimed
EP-0865339-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-01-22 EP claimed
US-6271262-B1 AMIDESULFONAMIDE COMPOUNDS AS ENZYME INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-08-07 US claimed
EP-0998454-A2 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-05-10 EP claimed
WO-1999003826-A2 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-01-28 WO claimed
EP-0865339-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-09-23 EP claimed
WO-1997003783-A9 METALLOPROTEINASE INHIBITORS 1997-04-03 WO claimed
WO-1997003783-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-02-06 WO claimed
EP-0998454-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-03-26 EP disclosed
EP-0865339-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-01-22 EP disclosed
US-6358987-B1 FOR THERAPY AND PROPHYLAXIS OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL EPIDERMAL OR GASTRIC ULCERATION, AND TUMOUR METASTASIS, INVASION AND GROWTH BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-03-19 US disclosed
US-6271262-B1 AMIDESULFONAMIDE COMPOUNDS AS ENZYME INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-08-07 US disclosed
US-6103739-A BONE RESORPTION; ANTIINFLAMMATORY AGENTS, SKIN DISORDERS; ANTITUMOR-CARCINOGENIC AND METASTASES AGENTS; ANGIOGENESIS INHIBITORS; ANTIARRITHIC AGENTS; RHEUMATOID DISEASES; OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS AND CORNEAL ULCERS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-08-15 US disclosed
EP-0998454-A2 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-05-10 EP disclosed
WO-1999003826-A2 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-01-28 WO disclosed
EP-0865339-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-09-23 EP disclosed
WO-1997003783-A9 METALLOPROTEINASE INHIBITORS 1997-04-03 WO disclosed
WO-1997003783-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-02-06 WO disclosed