SCHEMBL30097124

SCHEMBL30097124

O=[N+]([O-])c1ccc2nc(C3CCCC3)oc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.78
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HSP90AA1 P07900 1/20 0.46
LMNA P02545 1/20 0.44
CASP3 P42574 1/20 0.44
RIPK1 Q13546 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
BLM P54132 1/20 0.43
TXN P10599 1/20 0.42

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
SCHEMBL31344832 0.89 RAB9A (0.63) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL7954385 0.88 RAB9A (0.62) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL2243120 0.88 RAB9A (1.00) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL30097180 0.75 RAB9A (0.75) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL21815107 0.75 RAB9A (0.54) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL24825482 0.75 RAB9A (0.75) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL30097169 0.75 RAB9A (0.75) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL5155914 0.74 MAPT (0.61) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL2062399 0.73 MAPT (0.60) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9307873 0.73 KMT2A (0.60) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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
CN-117136187-A Novel anti-hepatitis B compound 上海齐鲁制药研究中心有限公司 2023-11-28 CN disclosed
WO-2022268154-A1 NEW ANTI-HEPATITIS B COMPOUND 上海齐鲁制药研究中心有限公司 2022-12-29 WO disclosed