SCHEMBL8407338

SCHEMBL8407338

CCOC(=O)CCCNC(=O)c1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
CD274 Q9NZQ7 1/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
DPP4 P27487 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HSP90AA1 P07900 1/20 0.46
GFER P55789 1/20 0.46
PPARA Q07869 1/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL15899524 0.96 MAPT (0.62) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL8410208 0.93 MAPT (0.52) MAPTSMN1; SMN2KDM4EALDH1A1CD274
SCHEMBL3929566 0.89 MAPT (0.55) MAPTSMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL8407717 0.85 HDAC3 (0.53) ALDH1A1CD274RAB9ANPC1SIGMAR1
SCHEMBL1232843 0.80 HDAC3 (0.58) MAPTALDH1A1RAB9ANPC1SIGMAR1
SCHEMBL14172934 0.79 MAPT (0.62) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL5009820 0.79 MAPT (0.62) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL6358663 0.79 MGLL (0.62) SMN1; SMN2RAB9ANPC1SIGMAR1HDAC3
SCHEMBL5536198 0.78 NAMPT (0.64) ALDH1A1CD274RAB9ANPC1SIGMAR1
SCHEMBL7442192 0.78 TOP2A (0.51) MAPTSMN1; SMN2CYP3A4CYP2C19KDM4E

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 5 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
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed