SCHEMBL31344799

SCHEMBL31344799

Nc1ccc2nc(C3CCOCC3)oc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
MGLL Q99685 1/20 0.41
GPR119 Q8TDV5 1/20 0.36
MET P08581 1/20 0.36
GRK2 P25098 1/20 0.36
GRK5 P34947 1/20 0.36
FLT3 P36888 1/20 0.36
LMNA P02545 1/20 0.36
ROCK2 O75116 1/20 0.35
MPO P05164 1/20 0.35

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
SCHEMBL30097180 0.88 RAB9A (0.75) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL24825482 0.88 RAB9A (0.75) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL30097169 0.88 RAB9A (0.75) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL22442365 0.77 MGLL (0.55) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL31344816 0.77 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL31344832 0.76 RAB9A (0.63) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL31344795 0.73 RAB9A (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1MGLL
SCHEMBL29780552 0.73 RAB9A (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL20304414 0.73 RAB9A (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL15858023 0.71 KDM4E (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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