SCHEMBL11577833

SCHEMBL11577833

COC(=O)C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPK1 P28482 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GPR35 Q9HC97 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 7/20 0.45
TDP1 Q9NUW8 6/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
TTR P02766 1/20 0.44
HIF1A Q16665 1/20 0.44
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2129944 0.87 ALDH1A1 (0.49) ALDH1A1MAPK1SMN1; SMN2GPR35TP53
SCHEMBL6220723 0.85 ALDH1A1 (0.48) ALDH1A1MAPK1SMN1; SMN2GPR35TP53
SCHEMBL546884 0.85 MAPT (0.54) ALDH1A1MAPK1SMN1; SMN2GPR35TP53
SCHEMBL30080552 0.85 MAPT (0.54) ALDH1A1MAPK1SMN1; SMN2GPR35TP53
SCHEMBL28430788 0.84 ALDH1A1 (0.57) ALDH1A1MAPK1SMN1; SMN2GPR35TP53
SCHEMBL9164739 0.82 ALDH1A1 (0.45) ALDH1A1MAPK1SMN1; SMN2GPR35TP53
SCHEMBL31715257 0.81 MAPT (0.50) ALDH1A1MAPK1SMN1; SMN2GPR35TP53
SCHEMBL2026853 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1SMN1; SMN2GPR35TP53
SCHEMBL2026857 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1SMN1; SMN2GPR35TP53
SCHEMBL11664242 0.79 TDP1 (0.46) ALDH1A1MAPK1SMN1; SMN2GPR35TP53

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
US-4113282-A TETRANITRODIPHENYL ACETIC ACID DERIVATIVES THE MEAD CORPORATION (US) 1978-09-12 US disclosed
US-3996052-A Phototropic compounds as acid catalyst in photopolymerizing process AMERICAN CAN COMPANY (US) 1976-12-07 US disclosed
US-3949143-A Epoxy resin coatings cured with phototropic aromatic nitro compounds AMERICAN CAN COMPANY (US) 1976-04-06 US disclosed