SCHEMBL7029937

SCHEMBL7029937

CC(C[CH]C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccncc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CYP2D6 P10635 2/20 0.41
HSPA1A P0DMV8 1/20 0.41
HSPA5 P11021 1/20 0.41
HSPA9 P38646 1/20 0.41
HSPA2 P54652 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MMP2 P08253 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL7020179 0.89 MMP2 (0.51) SMN1; SMN2RAB9AGAAHTTMMP2
SCHEMBL6840142 0.83 FCER2 (0.49) NPC1RAB9AALDH1A1CYP2C9CYP2C19
SCHEMBL7025425 0.82 HSPA5 (0.63) CYP3A4LMNACYP2D6HSPA1AHSPA5
SCHEMBL7344259 0.81 MEN1 (0.52) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL7345065 0.80 HDAC8 (0.56) SMN1; SMN2NPC1RAB9AMMP1
SCHEMBL7342788 0.80 NPC1 (0.54) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL7336531 0.80 NPC1 (0.54) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL7348738 0.80 NPC1 (0.54) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL7340293 0.79 NPC1 (0.52) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL7343283 0.79 ALDH1A1 (0.50) CYP3A4ALDH1A1PSMB1PSMB9PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865339-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-01-22 EP 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-0865339-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-01-22 EP 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-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