SCHEMBL5405432

SCHEMBL5405432

O=C(c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-])C(O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
CES2 O00748 2/20 0.49
CES1 P23141 1/20 0.49
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GPR35 Q9HC97 1/20 0.39
CTSD P07339 1/20 0.39
CASP6 P55212 1/20 0.38
CYP1A2 P05177 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL3259212 0.88 GPR35 (0.46) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL787459 0.81 ALDH1A1 (0.53) LMNACES2CES1MAPK1ALDH1A1
Carbamic Acid SCHEMBL25425926 0.81 CTSD (0.50) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL27866291 0.78 LMNA (0.44) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL8227998 0.78 CES2 (0.45) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL8835492 0.78 LMNA (0.38) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL9406620 0.77 ALDH1A1 (0.48) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL28752436 0.77 TDP1 (0.45) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL19358709 0.77 LMNA (0.42) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL304470 0.77 CASP6 (0.55) LMNACES2ALDH1A1KDM4EGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208148-B2 Chemically modified cytokines NEOVACS S.A. (FR) 2007-04-24 US claimed
US-20050180950-A1 Chemically modified TNF-alpha NEOVACS (FR) 2005-08-18 US claimed
CN-113149844-B Novel synthesis process of 2,4,6-trinitrobenzoic acid 中北大学 2023-03-31 CN disclosed
CN-113149844-A Novel synthesis process of 2,4, 6-trinitrobenzoic acid 中北大学 2021-07-23 CN disclosed
CN-106328962-B Preparation method of composite electro-oxidation catalytic material 北方工业大学 2018-10-23 CN disclosed
CN-108291123-A cellulose acetate wood filler composition 醋酸纤维国际有限责任公司 2018-07-17 CN disclosed
CN-108291056-A cellulose acetate film-forming composition 醋酸纤维国际有限责任公司 2018-07-17 CN disclosed
CN-101184797-A Method for compounding polymer pellets with functional additives EASTMAN CHEM CO (US) 2008-05-21 CN disclosed
EP-0983267-A1 AMIDOAROMATIC RING SULFONAMIDE HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 2000-03-08 EP disclosed
WO-1998039329-A1 AMIDOAROMATIC RING SULFONAMIDE HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 1998-09-11 WO disclosed