SCHEMBL5226420

SCHEMBL5226420

CNC(C)CC=Cc1cnc2nc(SCc3ccccc3)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 2/20 0.49
MAPT P10636 1/20 0.49
TP53 P04637 4/20 0.48
POLB P06746 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
CYP2E1 P05181 1/20 0.40

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
SCHEMBL620698 1.00 NPC1 (0.50) NPC1MAPK1ATMMAPTTP53
SCHEMBL620580 0.77 CHRNB2 (0.47) NPC1MAPK1ATMMAPTCHRNB2
SCHEMBL621394 0.76 CHRNB2 (0.46) NPC1MAPK1ATMMAPTCHRNB2
SCHEMBL618972 0.72 HPGD (0.77) NPC1ATMMAPTTP53POLB
SCHEMBL11356169 0.67 TP53 (0.66) NPC1ATMMAPTTP53POLB
SCHEMBL7101224 0.67 CHRNB2 (0.65) CHRNB2CHRNA4
SCHEMBL620728 0.65 CHRNB2 (0.50) CHRNB2CHRNA4
SCHEMBL620729 0.65 CHRNB2 (0.50) CHRNB2CHRNA4
SCHEMBL7104039 0.65 CHRNB2 (0.60) CHRNB2CHRNA4
SCHEMBL7103887 0.65 CHRNB2 (0.59) NPC1MAPK1TP53CHRNB2CHRNA4

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-1814853-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS Targacept, Inc. (US) 2007-08-08 EP disclosed
EP-1814852-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS Targacept, Inc. (US) 2007-08-08 EP disclosed
WO-2006053082-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT, INC. (US) 2006-05-18 WO disclosed
WO-2006053039-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT, INC. (US) 2006-05-18 WO disclosed