SCHEMBL230079

SCHEMBL230079

Cn1c(CCCCCN)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 1.00
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
GAA P10253 1/20 0.58
HDAC6 Q9UBN7 1/20 0.56
PDE10A Q9Y233 2/20 0.55
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.49
RECQL P46063 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 2/20 0.48
TLR7 Q9NYK1 1/20 0.48

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
SCHEMBL8088128 0.98 MAPT (0.97) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL5114083 0.94 MAPT (0.88) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL855166 0.87 MAPT (0.77) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL14050118 0.87 MAPT (0.76) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL11395129 0.86 MAPT (0.75) MAPTNPC1RAB9ASMN1; SMN2GAA
Hydrochloric Acid SCHEMBL14736626 0.85 MAPT (0.74) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL17933567 0.84 MAPT (0.72) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL17933568 0.83 MAPT (0.70) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL13263650 0.82 MAPT (0.69) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL10768346 0.82 MAPT (0.69) MAPTNPC1RAB9ASMN1; SMN2GAA

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
US-9011734-B2 Ligand exchange thermochromic, (LETC), systems PLEOTINT, L.L.C. (US) 2015-04-21 US disclosed
US-8431045-B2 Ligand exchange thermochromic systems and high ε ligands for same PLEOTINT, L.L.C. (US) 2013-04-30 US disclosed
US-20120292581-A1 LIGAND EXCHANGE THERMOCHROMIC SYSTEMS AND HIGH E LIGANDS FOR SAME PLEOTINT, LLC (US) 2012-11-22 US disclosed
US-20120001134-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, LLC (US) 2012-01-05 US disclosed
EP-2082005-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS Pleotint, L.L.C. (US) 2009-07-29 EP disclosed
WO-2008028128-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, L.L.C. (US) 2008-03-06 WO disclosed
EP-0226016-A1 Process for inhibiting hydrogen-induced corrosion of metallic materials BAYER AG (DE) 1987-06-24 EP disclosed