SCHEMBL8519675

SCHEMBL8519675

COC(=O)CCc1cccc(NC(=O)c2ccc(-c3ccc(C#N)cc3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
PLAU P00749 2/20 0.48
KCNH2 Q12809 1/20 0.48
SCN10A Q9Y5Y9 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK14 Q16539 2/20 0.48
BRD4 O60885 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
ACKR3 P25106 1/20 0.46
PPARD Q03181 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45

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
SCHEMBL8407573 0.89 NR1H4 (0.50) RAB9APLAUKCNH2SCN10AMEN1
SCHEMBL8410251 0.86 LMNA (0.56) RAB9AKCNH2SCN10AMEN1KMT2A
SCHEMBL9238331 0.83 MLYCD (0.53) RAB9AMEN1NPC1KMT2ANR1H4
Hydrochloric Acid SCHEMBL8718113 0.83 ITGB3 (0.70) ITGB3ITGA2BPLAUBRD4TRPV1
Hydrochloric Acid SCHEMBL9236526 0.79 ITGB3 (0.55) RAB9AITGB3ITGA2BMEN1NPC1
SCHEMBL3628694 0.78 CYP11B1 (0.56) MEN1KMT2ACYP11B1CYP11B2
SCHEMBL7395422 0.77 BRD4 (0.43) RAB9AKCNH2SCN10AMEN1KMT2A
Hydrochloric Acid SCHEMBL3628690 0.77 CYP11B1 (0.55) MEN1KMT2ACYP11B1CYP11B2
SCHEMBL3926844 0.77 FFAR1 (0.54) RAB9ACYP11B1CYP11B2SIRT2
SCHEMBL9253364 0.76 CYP11B1 (0.52) RAB9AMEN1KMT2ACYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed