SCHEMBL9836802

SCHEMBL9836802

O=C(Cl)Nc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
KMT2A Q03164 4/20 0.62
MEN1 O00255 2/20 0.62
NPC1 O15118 2/20 0.62
MAPK1 P28482 2/20 0.62
RAB9A P51151 2/20 0.62
ALDH1A1 P00352 3/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
AURKA O14965 1/20 0.60
PDPK1 O15530 1/20 0.60
JAK2 O60674 1/20 0.60
GMNN O75496 1/20 0.60
EGFR P00533 1/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
CYP1A2 P05177 1/20 0.60
LYN P07948 1/20 0.60
CHRM2 P08172 1/20 0.60
CYP3A4 P08684 1/20 0.60

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
SCHEMBL4506462 0.87 MAPT (0.64) MAPTKMT2AMEN1NPC1MAPK1
SCHEMBL4506455 0.87 MAPT (0.64) MAPTKMT2AMEN1NPC1MAPK1
SCHEMBL8930598 0.85 MAPT (0.63) MAPTKMT2AMEN1NPC1MAPK1
SCHEMBL11469609 0.84 MAPT (0.65) MAPTKMT2AMEN1NPC1MAPK1
SCHEMBL30492667 0.84 MAPT (0.65) MAPTKMT2AMEN1NPC1MAPK1
SCHEMBL30492664 0.84 MAPT (0.65) MAPTKMT2AMEN1NPC1MAPK1
SCHEMBL25394310 0.83 MAPT (0.71) MAPTKMT2AMEN1NPC1MAPK1
SCHEMBL11269623 0.83 MAPT (0.65) MAPTKMT2AMEN1NPC1MAPK1
SCHEMBL6811631 0.83 MAPT (0.67) MAPTKMT2AMEN1NPC1MAPK1
SCHEMBL9836357 0.82 MAPT (0.57) MAPTKMT2AMEN1NPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 EP disclosed