SCHEMBL28503258

SCHEMBL28503258

O=[N+]([O-])c1ccc(-c2cccnn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
MAOB P27338 1/20 0.47
MAPT P10636 5/20 0.45
XDH P47989 1/20 0.44
APP P05067 2/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CASP1 P29466 1/20 0.42
LMNA P02545 2/20 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
SCHEMBL6674010 0.81 MAPT (0.57) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL30461132 0.81 MAOB (0.54) RAB9ANPC1MAOBMAPTXDH
SCHEMBL25390143 0.77 RAB9A (0.57) RAB9ANPC1MAOBMAPTAPP
SCHEMBL2615553 0.76 NPC1 (0.57) RAB9ANPC1MAOBMAPTAPP
Pyridazine SCHEMBL27729005 0.76 ALDH1A1 (0.56) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL2651462 0.74 ALDH1A1 (0.46) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL13458062 0.72 GABRA1 (0.52) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL29959678 0.72 RAB9A (0.50) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL928800 0.71 CASP1 (0.52) RAB9ANPC1MAOBMAPTXDH
SCHEMBL2754391 0.71 RAB9A (0.51) RAB9ANPC1MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112898198-B Nitrogen-containing aromatic heterocyclic nitro compound and preparation method and application thereof 中国科学院长春应用化学研究所 2023-04-07 CN claimed
CN-112898198-B Nitrogen-containing aromatic heterocyclic nitro compound and preparation method and application thereof 中国科学院长春应用化学研究所 2023-04-07 CN disclosed
CN-114539171-A MAC type multi-cluster tandem linear hapten, artificial antigen, preparation method and application thereof 华南农业大学 2022-05-27 CN disclosed
CN-108852877-B Hair dye composition and method for stabilizing color tone of hair dye composition 朋友株式会社 2021-08-17 CN disclosed
CN-112898198-A Nitrogen-containing aromatic heterocyclic nitro compound and preparation method and application thereof 中国科学院长春应用化学研究所 2021-06-04 CN disclosed
CN-111936133-A Pharmaceutical composition, excipient for the composition and use of the composition 普拉提·都纳杜齐有限公司 2020-11-13 CN disclosed