SCHEMBL25308366

SCHEMBL25308366

O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cc(-c3ccc(O)cc3)[nH]n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
TAAR1 Q96RJ0 1/20 0.55
MAPT P10636 8/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
PKM P14618 1/20 0.52
KMT2A Q03164 1/20 0.52
MCL1 Q07820 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NME4 O00746 1/20 0.48
GCDH Q92947 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
TP53 P04637 1/20 0.48
HDAC3 O15379 1/20 0.47

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
SCHEMBL25306854 0.91 MAPT (0.57) RAB9ANPC1SMN1; SMN2MAPTNME4
SCHEMBL25308935 0.86 MAPT (0.67) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL25263437 0.86 MAPT (0.52) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL25307575 0.83 MAPT (0.54) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL29033879 0.83 MEN1 (0.57) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL25305249 0.77 MAPT (0.65) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL25307234 0.77 MAPT (0.48) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL12490766 0.75 RAB9A (0.85) RAB9ANPC1MAPTLMNAMEN1
SCHEMBL25309254 0.74 MAPT (0.53) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL11024162 0.72 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TAAR1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023130540-A1 PYRAZOL BENZAMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 苏州大学 2023-07-13 WO disclosed
WO-2023130540-A1 PYRAZOL BENZAMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 苏州大学 2023-07-13 WO disclosed
CN-114394934-A Pyrazole benzamide compound and preparation method and application thereof 苏州大学 2022-04-26 CN disclosed