SCHEMBL5312440

SCHEMBL5312440

Nc1cccc(/N=N/c2ccccc2)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
RAB9A P51151 2/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
TDP1 Q9NUW8 6/20 0.53
MAPK1 P28482 5/20 0.53
MAPT P10636 4/20 0.53
CYP3A4 P08684 4/20 0.52
TSHR P16473 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 2/20 0.52
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
HBB P68871 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL18240066 1.00 NPC1 (0.54) NPC1L3MBTL1RAB9AGAAMEN1
Azobenzene SCHEMBL18804028 1.00 NPC1 (0.54) NPC1L3MBTL1RAB9AGAAMEN1
SCHEMBL1389298 1.00 NPC1 (0.54) NPC1L3MBTL1RAB9AGAAMEN1
Azobenzene SCHEMBL18804041 1.00 NPC1 (0.54) NPC1L3MBTL1RAB9AGAAMEN1
Hydrochloric Acid SCHEMBL11748668 0.98 TDP1 (0.55) NPC1L3MBTL1RAB9AGAAMEN1
Water SCHEMBL27618681 0.98 NPC1 (0.52) NPC1L3MBTL1RAB9AGAAMEN1
SCHEMBL6227112 0.87 NPC1 (0.62) NPC1L3MBTL1RAB9AGAAMEN1
SCHEMBL9354360 0.85 MEN1 (0.47) NPC1L3MBTL1RAB9AGAAMEN1
SCHEMBL5312441 0.85 SENP7 (0.50) NPC1L3MBTL1RAB9AGAAMEN1
SCHEMBL590787 0.85 NPC1 (0.76) NPC1L3MBTL1RAB9AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007051032-A2 CHEMICAL DERIVATIZATION, DETECTION, AND IDENTIFICATION OF PEPTIDE AND PROTEIN MODIFICATIONS INTEL CORPORATION (US) 2007-05-03 WO claimed
US-20070099256-A1 Chemical derivatization, detection, and identification of peptide and protein modifications Apricot Ideas, Inc. 2007-05-03 US claimed
EP-1150142-B1 COLOR POLARIZER WITH SUPPORT FOR LIQUID CRYSTAL PROJECTOR AND COLOR LIQUID CRYSTAL PROJECTOR NIPPON KAYAKU KK (JP) 2005-06-01 EP claimed
WO-2007051032-A2 CHEMICAL DERIVATIZATION, DETECTION, AND IDENTIFICATION OF PEPTIDE AND PROTEIN MODIFICATIONS INTEL CORPORATION (US) 2007-05-03 WO disclosed
US-20070099256-A1 Chemical derivatization, detection, and identification of peptide and protein modifications Apricot Ideas, Inc. 2007-05-03 US disclosed