SCHEMBL9380425

SCHEMBL9380425

CCc1ccc(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50
PLAT P00750 1/20 0.50
KLKB1 P03952 1/20 0.50
PRSS1 P07477 1/20 0.50
CYP26A1 O43174 3/20 0.49
CYP3A4 P08684 2/20 0.49
RARA P10276 2/20 0.49
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP26B1 Q9NR63 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
MAPK14 Q16539 4/20 0.45
CYP1A2 P05177 1/20 0.43

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
SCHEMBL9376041 0.89 KDM4E (0.55) MAPTCYP26A1CYP3A4RARARAB9A
SCHEMBL9381158 0.87 MAPT (0.48) MAPTNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9375850 0.87 KDM4E (0.50) CYP26A1CYP3A4RARARAB9ANPC1
SCHEMBL9375240 0.86 KMT2A (0.52) CYP26A1CYP3A4RARARAB9ANPC1
SCHEMBL9376571 0.86 CYP26A1 (0.52) MAPTCYP26A1CYP3A4RARANPC1
SCHEMBL9375391 0.86 CYP26A1 (0.52) MAPTCYP26A1CYP3A4RARARAB9A
SCHEMBL9376140 0.86 NPC1 (0.52) MAPTCYP26A1CYP3A4RARARAB9A
SCHEMBL9840186 0.85 CYP26A1 (0.51) MAPTCYP26A1CYP3A4RARARAB9A
SCHEMBL9379538 0.85 MEN1 (0.53) CYP26A1CYP3A4RARARAB9ANPC1
SCHEMBL9375261 0.85 BACE1 (0.55) MAPTCYP26A1CYP3A4RARARAB9A

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