SCHEMBL4086856

SCHEMBL4086856

NC(=S)N(CCO)c1ccc(Br)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 12/20 0.44
RAD52 P43351 1/20 0.40
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SSTR2 P30874 4/20 0.37
SSTR4 P31391 4/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
PLAU P00749 1/20 0.37

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
SCHEMBL5888042 0.81 GBA1 (0.49) GBA1RAD52ALDH1A1MAPTRAB9A
SCHEMBL4078040 0.78 KMT2A (0.42) NPC1ALDH1A1RAB9AKMT2APLAU
SCHEMBL3177206 0.77 SMN1; SMN2 (0.44) GBA1RAD52NPC1ALDH1A1MAPT
SCHEMBL6231791 0.77 AOC3 (0.40) GBA1RAD52NPC1RAB9ASMN1; SMN2
SCHEMBL15205756 0.76 GBA1 (0.61) GBA1RAD52NPC1ALDH1A1MAPT
SCHEMBL4096326 0.75 POLB (0.36) NPC1ALDH1A1RAB9ASMN1; SMN2PLAU
SCHEMBL5255404 0.73 GBA1 (0.53) GBA1NPC1ALDH1A1MAPTRAB9A
SCHEMBL4086338 0.72
SCHEMBL18584256 0.71 ALDH1A1 (0.37) GBA1RAD52ALDH1A1KMT2ASSTR2
SCHEMBL856442 0.69 GBA1 (0.48) GBA1RAD52NPC1ALDH1A1MAPT

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-2009053449-A1 THIAZOLES WHICH POTENTIATE AMPA RECEPTOR AND MEDICINAL USES THEREOF GLAXO GROUP LIMITED (GB) 2009-04-30 WO disclosed