SCHEMBL9377709

SCHEMBL9377709

Cc1cc(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.47
GALR3 O60755 1/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 2/20 0.47
GUSB P08236 1/20 0.47
LMNA P02545 1/20 0.46
MAPK14 Q16539 3/20 0.45
KDM4E B2RXH2 1/20 0.44
IGF1R P08069 1/20 0.43
OPRK1 P41145 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 1/20 0.43
ADAM17 P78536 2/20 0.43
GAA P10253 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
SCHEMBL9378850 0.79 KMT2A (0.50) HTTMEN1KMT2ARAB9ANPC1
SCHEMBL9374793 0.78 CYP26A1 (0.53) MEN1KMT2AMAPTMAPK14ALDH1A1
SCHEMBL9379254 0.78 KMT2A (0.54) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL31411782 0.78 STING1 (0.43) MAPK14GAA
SCHEMBL9375928 0.77 MAPK14 (0.44) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL9376028 0.77 NPC1 (0.49) HTTMEN1KMT2ARAB9ANPC1
SCHEMBL9379514 0.77 RAB9A (0.55) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL9375312 0.77 HDAC1 (0.50) MAPK14
SCHEMBL9375666 0.77 NPC1 (0.59) HTTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL9376520 0.76 TOP1 (0.58) HTTMEN1KMT2ASMN1; SMN2RAB9A

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
CN-1038640-A Two ring carboxamide, its preparation methods and contain the pharmaceutical composition of this material BOEHRINGER MANNHEIM GMBH (DE) 1990-01-10 CN disclosed