SCHEMBL845239

SCHEMBL845239

Cc1cccc(N(c2ccccn2)c2cccc(C)n2)n1.Cc1cccc(Nc2cccc(C)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
ALPL P05186 1/20 0.49
POLB P06746 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
PPP1CA P62136 1/20 0.49
NFKB2 Q00653 1/20 0.49
KMT2A Q03164 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GRM5 P41594 13/20 0.48
ASIC3 Q9UHC3 2/20 0.47
HIF1A Q16665 1/20 0.44
KDR P35968 1/20 0.43
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL227814 0.89 GRM5 (0.49) ALDH1A1MAPTMEN1NPC1TP53
SCHEMBL229152 0.89 GRM5 (0.49) ALDH1A1MAPTMEN1NPC1TP53
SCHEMBL3961363 0.85 RAB9A (0.44) ALDH1A1MAPTMEN1NPC1TP53
SCHEMBL226477 0.82 KMT2A (0.57) ALDH1A1MAPTMEN1NPC1TP53
SCHEMBL230270 0.80 GRM5 (0.44) ALDH1A1MAPTMEN1NPC1TP53
SCHEMBL229747 0.76 RAB9A (0.59) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL16741935 0.76 CCR1 (0.52) ALDH1A1MEN1NPC1TP53NFKB1
SCHEMBL230942 0.74 GRM5 (0.47) ALDH1A1MAPTMEN1NPC1TP53
SCHEMBL3957843 0.73 GRM5 (0.58) ALDH1A1MAPTMEN1NPC1TP53
SCHEMBL229174 0.73 CXCR4 (0.45) ALDH1A1MAPTMEN1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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