SCHEMBL3666115

SCHEMBL3666115

Nc1ccc2nc3c(=O)cccc-3oc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
MEN1 O00255 5/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
RECQL P46063 1/20 0.41
ADORA2A P29274 1/20 0.38
ATM Q13315 1/20 0.38
TLR9 Q9NR96 1/20 0.38

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
SCHEMBL28612367 0.81 APP (0.54) KMT2AMAPTSMN1; SMN2MEN1KDM4E
SCHEMBL29631752 0.79 MAPT (0.50) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL306543 0.79 MAPT (0.50) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL3275224 0.78 KMT2A (0.62) RAB9ANPC1KMT2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL10485854 0.78 MAPT (0.49) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL1635260 0.77 RAB9A (0.44) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL28912628 0.75 APP (0.60) RAB9ANPC1KMT2AMAPTSMN1; SMN2
Pyridine SCHEMBL28817862 0.72 MAPT (0.43) RAB9ANPC1KMT2AMAPTSMN1; SMN2
Perchlorate SCHEMBL11026726 0.72 MAPT (0.43) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL13338326 0.72 LCK (0.52) RAB9ANPC1KMT2AMAPTSMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970682-B Method for detecting and/or identifying clostridium difficile BIOMERIEUX SA 2015-05-13 CN disclosed
EP-2235202-B1 METHOD FOR DETECTING AND/OR IDENTIFYING CLOSTRIDIUM DIFFICILE BIOMERIEUX SA (FR) 2013-06-19 EP disclosed
US-8404460-B2 Method for detecting and/or identifying Clostridium difficile BIOMERIEUX (FR) 2013-03-26 US disclosed
CN-101970682-A Method for detecting and/or identifying clostridium difficile BIOMERIEUX SA 2011-02-09 CN disclosed
US-20100279330-A1 METHOD FOR DETECTING AND/OR IDENTIFYING CLOSTRIDIUM DIFFICILE BIOMERIEUX (FR) 2010-11-04 US disclosed
EP-2235202-A2 METHOD FOR DETECTING AND/OR IDENTIFYING CLOSTRIDIUM DIFFICILE Biomérieux (FR) 2010-10-06 EP disclosed
WO-2009092982-A2 METHOD FOR DETECTING AND/OR IDENTIFYING CLOSTRIDIUM DIFFICILE bioMérieux (FR) 2009-07-30 WO disclosed