SCHEMBL229982

SCHEMBL229982

c1ccc(CCCn2cnc3ccccc32)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.81
TDP1 Q9NUW8 1/20 0.68
CYP11B1 P15538 3/20 0.65
CYP11B2 P19099 3/20 0.65
TNF P01375 1/20 0.65
SMN1; SMN2 Q16637 7/20 0.63
LMNA P02545 3/20 0.63
ALOX15 P16050 1/20 0.63
TSHR P16473 1/20 0.63
EGLN3 Q9H6Z9 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LTA4H P09960 1/20 0.57
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
MAPT P10636 3/20 0.55
NPC1 O15118 1/20 0.55
NFKB1 P19838 1/20 0.55
RAB9A P51151 1/20 0.55
NFKB2 Q00653 1/20 0.55

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
SCHEMBL9775011 0.92 HTT (0.74) HTTTDP1CYP11B1CYP11B2TNF
SCHEMBL784573 0.90 HTT (1.00) HTTTDP1CYP11B1CYP11B2TNF
SCHEMBL9814242 0.86 TDP1 (0.84) HTTTDP1CYP11B1CYP11B2TNF
SCHEMBL30294105 0.86 TDP1 (0.84) HTTTDP1CYP11B1CYP11B2TNF
SCHEMBL3161153 0.86 TDP1 (0.84) HTTTDP1CYP11B1CYP11B2TNF
SCHEMBL352046 0.84 TDP1 (0.81) HTTTDP1CYP11B1CYP11B2TNF
SCHEMBL353009 0.84 TDP1 (0.81) HTTTDP1CYP11B1CYP11B2TNF
SCHEMBL9814241 0.84 TDP1 (0.81) HTTTDP1CYP11B1CYP11B2TNF
SCHEMBL2331250 0.84 TDP1 (0.81) HTTTDP1CYP11B1CYP11B2TNF
Ammonia Solution, Strong SCHEMBL7100443 0.84 TDP1 (0.81) HTTTDP1CYP11B1CYP11B2TNF

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
EP-2082005-B9 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT LLC (US) 2013-05-22 EP disclosed
EP-2082005-B1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT LLC (US) 2012-08-01 EP disclosed
EP-2436750-A2 Ligand exchange thermochromic, (LETC), systems Pleotint, L.L.C. (US) 2012-04-04 EP disclosed
EP-2434000-A2 Ligand exchange thermochromic, (LETC), systems Pleotint, L.L.C. (US) 2012-03-28 EP disclosed
US-20120001134-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, LLC (US) 2012-01-05 US disclosed
US-8018639-B2 Ligand exchange thermochromic, (LETC), systems PLEOTINT, L.L.C. (US) 2011-09-13 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