SCHEMBL9375928

SCHEMBL9375928

CC1(C)C(=O)Nc2cc(C(=O)Nc3ccccc3CO)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.44
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
BCAT2 O15382 1/20 0.41
NHERF1 O14745 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 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
SCHEMBL9378204 0.92 KCNK3 (0.51) MAPK14MAPTTP53NPC1RAB9A
SCHEMBL9378850 0.85 KMT2A (0.50) MAPK14TP53NPC1RAB9APDK2
SCHEMBL9379254 0.84 KMT2A (0.54) MAPK14MAPTTP53NPC1RAB9A
SCHEMBL9376028 0.83 NPC1 (0.49) MAPK14NPC1RAB9APDK2PDK4
SCHEMBL9375312 0.83 HDAC1 (0.50) MAPK14PDK2PDK4
SCHEMBL9379514 0.83 RAB9A (0.55) MAPK14MAPTNPC1RAB9AKMT2A
SCHEMBL9379050 0.83 CNR2 (0.48) MAPK14MAPTTP53NPC1RAB9A
SCHEMBL9380251 0.82 RAB9A (0.58) MAPK14NPC1RAB9APDK2PDK4
SCHEMBL9376565 0.81 NPC1 (0.60) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL9374739 0.81 TSHR (0.54) MAPTTP53NPC1RAB9AKMT2A

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-0344634-B1 Bicyclic carboxamides, process for their preparation and medicaments containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-03-30 EP disclosed
US-5019587-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1991-05-28 US disclosed