SCHEMBL2037353

SCHEMBL2037353

Fc1ccc(-n2nnc(-c3cncs3)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.43
NPC1 O15118 11/20 0.43
PKM P14618 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 6/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA5 P30532 2/20 0.38
CHRNA4 P43681 2/20 0.38
RECQL P46063 2/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
GRM5 P41594 3/20 0.33
ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL2037498 0.83 RAB9A (0.43) RAB9ANPC1PKMKMT2AMAPT
SCHEMBL2037579 0.80 RAB9A (0.42) RAB9ANPC1PKMKMT2AMAPT
SCHEMBL29682609 0.78 NPC1 (0.55) RAB9ANPC1PKMMAPTCHRNB2
SCHEMBL2037831 0.77 CHRNB2 (0.64) RAB9ANPC1PKMMAPTCHRNB2
SCHEMBL2037773 0.76 NPC1 (0.38) RAB9ANPC1PKMKMT2AMAPT
SCHEMBL2036752 0.75 NPC1 (0.46) RAB9ANPC1PKMKMT2AMAPT
SCHEMBL2040507 0.74 NPC1 (0.73) RAB9ANPC1MAPTCHRNB2CHRNA5
SCHEMBL2034759 0.74 NPC1 (0.51) RAB9ANPC1PKMKMT2AMAPT
SCHEMBL2039666 0.72 NPC1 (0.46) RAB9ANPC1KMT2AMAPTCHRNB2
SCHEMBL2033604 0.71 CHRNB2 (0.72) RAB9ANPC1MAPTCHRNB2CHRNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011073298-A1 TETRAZOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2011-06-23 WO claimed
WO-2011073298-A1 TETRAZOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2011-06-23 WO disclosed