SCHEMBL9664684

SCHEMBL9664684

O=C1C(c2ccc([N+](=O)[O-])cc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 4/20 0.56
LMNA P02545 2/20 0.56
PTPRC P08575 3/20 0.49
CES1 P23141 2/20 0.49
S100A4 P26447 2/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CRHBP P24387 1/20 0.48
ATM Q13315 1/20 0.48
CRHR2 Q13324 1/20 0.48
TLR9 Q9NR96 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
CA12 O43570 2/20 0.47
CA2 P00918 2/20 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
SCHEMBL16140281 0.92 ALDH1A1 (0.65) MAPK1POLBALDH1A1LMNACES1
SCHEMBL25187033 0.83 MAPK1 (0.74) MAPK1POLBALDH1A1LMNACES1
SCHEMBL167524 0.83 MAPK1 (0.74) MAPK1POLBALDH1A1LMNACES1
SCHEMBL29504889 0.81 ALDH1A1 (0.64) MAPK1POLBALDH1A1LMNAPTPRC
Hydrochloric Acid SCHEMBL27456794 0.81 MAPK1 (0.71) MAPK1POLBALDH1A1LMNACES1
SCHEMBL28375748 0.81 MAPK1 (0.71) MAPK1POLBALDH1A1LMNACES1
Water SCHEMBL28196816 0.81 MAPK1 (0.71) MAPK1POLBALDH1A1LMNACES1
Water SCHEMBL4868802 0.81 MAPK1 (0.71) MAPK1POLBALDH1A1LMNACES1
Ammonia Solution, Strong SCHEMBL9570816 0.81 MAPK1 (0.71) MAPK1POLBALDH1A1LMNACES1
Biphenyl SCHEMBL27380379 0.81 ALDH1A1 (0.75) MAPK1POLBALDH1A1LMNACES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5087691-A Poly-phenylated diamines and their use as polycondensation monomers in the synthesis of polyamide, poly(amide-imide), and polyimide polymers UNIVERSITY OF AKRON (US) 1992-02-11 US disclosed