SCHEMBL2564079

SCHEMBL2564079

NC(=O)C(c1nc2ccccc2s1)N1CCC(CN2CCOCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
USP2 O75604 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.40
ILK Q13418 1/20 0.40
CASR P41180 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
BCHE P06276 1/20 0.39
ALOX5 P09917 1/20 0.39
TSHR P16473 1/20 0.39
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL2563820 0.86 NPC1 (0.50) MGLLALDH1A1NPC1RAB9AMAPT
SCHEMBL2563754 0.85 NPC1 (0.43) MGLLALDH1A1NPC1RAB9AMAPT
SCHEMBL2564779 0.83 ALOX5 (0.46) ALDH1A1NPC1RAB9AMAPTPKM
SCHEMBL2551908 0.81 ALOX5 (0.46) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL2554490 0.78 ALOX5 (0.50) ALDH1A1NPC1RAB9AMAPTPKM
SCHEMBL2561395 0.77 L3MBTL3 (0.43) ALDH1A1NPC1RAB9AMAPTHSD17B10
SCHEMBL2565922 0.77 ALOX5 (0.44) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL2560911 0.77 ALOX5 (0.44) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL2565763 0.77 NPC1 (0.52) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL2562554 0.77 NPC1 (0.46) ALDH1A1NPC1RAB9AMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011121223-A1 6-(ALKYL- OR CYCLOALKYL-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLE DERIVATIVES: PREPARATION, APPLICATION AS MEDICAMENTS AND USE AS MET INHIBITORS SANOFI-AVENTIS (FR) 2011-10-06 WO disclosed