SCHEMBL9380251

SCHEMBL9380251

CC(=O)c1ccccc1NC(=O)c1ccc2c(c1)NC(=O)C2(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
NR1H4 Q96RI1 1/20 0.46
MAPK14 Q16539 4/20 0.45
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PGR P06401 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CHEK1 O14757 1/20 0.42
PIM1 P11309 1/20 0.42
MAPK8 P45983 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL9374739 0.88 TSHR (0.54) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL9379254 0.88 KMT2A (0.54) RAB9ANPC1MAPK14MEN1KMT2A
SCHEMBL9378850 0.86 KMT2A (0.50) RAB9ANPC1MAPK14MEN1KMT2A
SCHEMBL9379940 0.85 KMT2A (0.58) RAB9AMEN1KMT2AALDH1A1CA12
SCHEMBL9379514 0.84 RAB9A (0.55) RAB9ANPC1MAPK14MEN1PKM
SCHEMBL9376028 0.84 NPC1 (0.49) RAB9ANPC1MAPK14MEN1KMT2A
SCHEMBL9375312 0.84 HDAC1 (0.50) MAPK14PDK2PDK4
SCHEMBL9374793 0.84 CYP26A1 (0.53) MAPK14MEN1KMT2APDK2PDK4
SCHEMBL9378204 0.83 KCNK3 (0.51) RAB9ANPC1MAPK14MEN1KMT2A
SCHEMBL9375391 0.83 CYP26A1 (0.52) RAB9ANPC1MAPK14MEN1PKM

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
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
EP-0344634-A1 Bicyclic carboxamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1989-12-06 EP disclosed