SCHEMBL29865238

SCHEMBL29865238

CNCc1cc2ncccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATAD2 Q6PL18 1/20 0.49
▸ PKM P14618 2/20 0.45
▸ DAO P14920 1/20 0.45
▸ MAPT P10636 2/20 0.40
▸ SNCA P37840 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.39
▸ NR3C1 P04150 1/20 0.38
▸ PRMT5 O14744 3/20 0.37
▸ WDR77 Q9BQA1 3/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL24016459 0.83 MTNR1A (0.56) ATAD2DAOMAPTHRH4PRMT5
SCHEMBL12677225 0.81 ATAD2 (0.53) ATAD2PKMDAOMAPTSNCA
SCHEMBL29865073 0.79 PKM (0.39) PKMMAPTCYP2A6NPC1RAB9A
SCHEMBL27144888 0.78 DAO (0.48) ATAD2DAOHRH4NR3C1PRMT5
SCHEMBL9396748 0.77 DAO (0.53) ATAD2PKMDAOMAPTSNCA
SCHEMBL30040118 0.77 DAO (0.53) ATAD2PKMDAOMAPTSNCA
SCHEMBL2175546 0.77 LOXL2 (0.52) ATAD2PKMDAOMAPTSNCA
SCHEMBL27658755 0.77 DAO (0.49) ATAD2PKMDAOMAPTSNCA
SCHEMBL4862801 0.77 DAO (0.49) ATAD2PKMDAOMAPTSNCA
SCHEMBL25587553 0.77 DAO (0.43) ATAD2DAOMAPTHRH4NR3C1

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-2022175425-A1 INHALED MTOR KINASE INHIBITORS FOR USE IN THE TREATMENT OR THE PREVENTION OF A RESPIRATORY RNA VIRUS INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-08-25 — — WO claimed
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