SCHEMBL29065644

SCHEMBL29065644

O=[C]C(c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
ALDH1A1 P00352 9/20 0.49
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.45
TDP1 Q9NUW8 4/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
STAT6 P42226 1/20 0.43
HIF1A Q16665 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR35 Q9HC97 1/20 0.42
HPGD P15428 1/20 0.42
PLAU P00749 1/20 0.42
PTPRC P08575 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
SCHEMBL3208695 0.81 ALDH1A1 (0.50) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL4078018 0.79 CYP1A2 (0.56) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL4353073 0.77 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL3697952 0.77 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL3807727 0.77 ALDH1A1 (0.46) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL28410270 0.77 CYP1A2 (0.47) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL3326982 0.76 ALDH1A1 (0.49) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL18912100 0.75 CYP1A2 (0.53) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL16284318 0.75 ALDH1A1 (0.56) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL7616610 0.75 CYP1A2 (0.53) CYP1A2ALDH1A1TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116963729-A Nanomaterial comprising ionizable lipids 比姆医疗股份有限公司 2023-10-27 CN disclosed
CN-116887841-A Nanomaterials comprising ester-linked acetals 比姆医疗股份有限公司 2023-10-13 CN disclosed
CN-116847853-A Nanomaterials comprising biodegradable features 比姆医疗股份有限公司 2023-10-03 CN disclosed
CN-116782913-A Nanomaterials comprising acetals 比姆医疗股份有限公司 2023-09-19 CN disclosed
CN-116782951-A Ionizable lipids for nanomaterials 比姆医疗股份有限公司 2023-09-19 CN disclosed
CN-116761888-A Nanomaterial for the preparation of a nanoparticle 比姆医疗股份有限公司 2023-09-15 CN disclosed
CN-116685332-A Nanomaterial comprising carbonate 比姆医疗股份有限公司 2023-09-01 CN disclosed