SCHEMBL3731059

SCHEMBL3731059

CC(=O)Nc1ccc2c(c1)nnn2C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.55
RAB9A P51151 8/20 0.55
MAPT P10636 6/20 0.55
KDM4E B2RXH2 6/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GLA P06280 1/20 0.55
TNNI3 P19429 1/20 0.55
TNNT2 P45379 1/20 0.55
TNNC1 P63316 1/20 0.55
RUNX1 Q01196 1/20 0.55
CBFB Q13951 1/20 0.55
ALDH1A1 P00352 4/20 0.55
PABPC1 P11940 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 1/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL10946771 0.85 NPC1 (0.45) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL11055398 0.83 MAPT (0.56) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL26802185 0.83 RAB9A (0.68) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL10347621 0.82 MAPT (0.55) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL26802269 0.78 MAPT (0.51) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL11440840 0.78 KCNMA1 (0.61) RAB9AMAPTMEN1KMT2AALDH1A1
SCHEMBL19848247 0.76 KCNMA1 (0.59) MEN1KMT2AGLAALDH1A1
SCHEMBL19848277 0.74 F12 (0.52) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL19330719 0.74 NSD2 (0.58) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL19848307 0.73 KCNMA1 (0.62) MAPTALDH1A1SMN1; SMN2HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741102-B2 Analyte detection and apparatus therefor UNIVERSITY OF STRATHCLYDE (GB) 2010-06-22 US disclosed
US-7741102-B2 Analyte detection and apparatus therefor UNIVERSITY OF STRATHCLYDE (GB) 2010-06-22 US disclosed
US-7741102-B2 Analyte detection and apparatus therefor UNIVERSITY OF STRATHCLYDE (GB) 2010-06-22 US disclosed
EP-1272827-B1 ANALYTE DETECTION UNIV STRATHCLYDE (GB) 2008-09-17 EP disclosed
EP-1272827-B1 ANALYTE DETECTION UNIV STRATHCLYDE (GB) 2008-09-17 EP disclosed
US-20040234958-A1 Analyte detection and apparatus therefor RENISHAW DIAGNOSTICS LIMITED (GB) 2004-11-25 US disclosed
EP-1272827-A1 ANALYTE DETECTION & APPARATUS THEREFOR UNIVERSITY OF STRATHCLYDE (GB) 2003-01-08 EP disclosed
WO-2001077650-A1 ANALYTE DETECTION & APPARATUS THEREFOR UNIVERSITY OF STRATHCLYDE (GB) 2001-10-18 WO disclosed