SCHEMBL31344795

SCHEMBL31344795

N#Cc1cc2nc(C3CCOCC3)oc2cc1N

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MGLL Q99685 1/20 0.33
HDAC4 P56524 1/20 0.32
MPO P05164 1/20 0.32
USP30 Q70CQ3 3/20 0.32
PIK3CD O00329 1/20 0.31
MBOAT4 Q96T53 1/20 0.31
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30

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
SCHEMBL31344816 0.80 RAB9A (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2MGLL
SCHEMBL31344812 0.76 NPC1 (0.33) RAB9ANPC1ALDH1A1SMN1; SMN2MBOAT4
SCHEMBL31344798 0.76 RAB9A (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2HDAC4
SCHEMBL31344799 0.73 RAB9A (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2MGLL
SCHEMBL31344833 0.71 GAA (0.38) RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL20304414 0.68 RAB9A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2MGLL
SCHEMBL29780552 0.68 RAB9A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2MGLL
SCHEMBL31344815 0.68 IKBKB (0.30) MBOAT4
SCHEMBL31344819 0.66 MET (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2PIK3CD
SCHEMBL30665923 0.66 RAB9A (0.37) RAB9ANPC1ALDH1A1SMN1; SMN2

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
CN-119569651-A Carboxamide derivatives, pharmaceutical compositions containing the same, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2025-03-07 CN disclosed