SCHEMBL6815364

SCHEMBL6815364

COc1cccnc1-c1cccc(-c2ccccn2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.58
L3MBTL1 Q9Y468 9/20 0.58
LMNA P02545 8/20 0.58
TP53 P04637 5/20 0.58
KDM4E B2RXH2 5/20 0.58
TDP1 Q9NUW8 4/20 0.58
ALOX15 P16050 3/20 0.58
CCR1 P32246 3/20 0.58
CCR5 P51681 3/20 0.58
CCR8 P51685 3/20 0.58
HTT P42858 3/20 0.58
ALPL P05186 1/20 0.58
HSP90AA1 P07900 1/20 0.58
ALPI P09923 1/20 0.58
ALPG P10696 1/20 0.58
MAPK1 P28482 1/20 0.58
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL30867783 0.88 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1LMNATP53KDM4E
SCHEMBL7037994 0.88 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1LMNATP53KDM4E
SCHEMBL8526333 0.84 CCR1 (0.55) SMN1; SMN2L3MBTL1LMNATP53KDM4E
SCHEMBL16774675 0.82 TGFBR1 (0.46) SMN1; SMN2LMNATP53KDM4EALOX15
SCHEMBL5681545 0.82 SMN1; SMN2 (0.60) SMN1; SMN2L3MBTL1LMNATP53KDM4E
SCHEMBL3131063 0.78 PDGFRB (0.43) SMN1; SMN2L3MBTL1LMNAKDM4EHTT
SCHEMBL5462166 0.77 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1LMNATP53KDM4E
SCHEMBL5702570 0.76 CA1 (0.50) SMN1; SMN2LMNATP53KDM4ETDP1
SCHEMBL29894839 0.76 CA1 (0.50) SMN1; SMN2LMNATP53KDM4ETDP1
Terpyridine SCHEMBL30610403 0.76 KDM4E (0.90) SMN1; SMN2L3MBTL1LMNATP53KDM4E

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-1119637-B8 SMALL VOLUME IN VITRO ANALYTE SENSOR WITH DIFFUSIBLE OR NON-LEACHABLE REDOX MEDIATOR THERASENSE INC (US) 2004-07-28 EP disclosed
EP-1119637-A1 SMALL VOLUME $i(IN VITRO) ANALYTE SENSOR WITH DIFFUSIBLE OR NON-LEACHABLE REDOX MEDIATOR Therasense, Inc. (US) 2001-08-01 EP disclosed
WO-2000020626-A1 SMALL VOLUME IN VITRO ANALYTE SENSOR WITH DIFFUSIBLE OR NON-LEACHABLE REDOX MEDIATOR THERASENSE, INC. (US) 2000-04-13 WO disclosed