SCHEMBL23565263

SCHEMBL23565263

Cc1ccc(-n2cn[nH]c2=O)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.44
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
STAT3 P40763 1/20 0.38
STAT1 P42224 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOTUM Q6P988 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRIN2D O15399 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
SCHEMBL6798000 0.79 GPR119 (0.44) GPR119NPC1RAB9AALDH1A1KDM4E
SCHEMBL23564938 0.79 GPR119 (0.44) GPR119NPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL20639995 0.79 GPR119 (0.44) GPR119ALDH1A1HTTHSD17B10TDP1
SCHEMBL23539553 0.79 GPR119 (0.44) GPR119RAB9AALDH1A1HTTHSD17B10
SCHEMBL21382262 0.74 EGLN2 (0.41) GPR119NPC1RAB9AALDH1A1KDM4E
SCHEMBL1618003 0.74 HTT (0.50) GPR119NPC1RAB9APKMSMN1; SMN2
SCHEMBL17525081 0.73 GPR119 (0.46) GPR119GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21385028 0.72 GPR119 (0.41) GPR119ALDH1A1HTTHSD17B10TDP1
SCHEMBL30947099 0.72 GPR119 (0.41) GPR119ALDH1A1HTTHSD17B10TDP1
SCHEMBL23564965 0.71 HTT (0.44) GPR119NPC1RAB9APKMALDH1A1

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-2021127459-A1 GPR139 RECEPTOR MODULATORS BLACKTHORN THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed