SCHEMBL9834299

SCHEMBL9834299

O=C(Cl)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
MAPT P10636 7/20 0.56
HTT P42858 5/20 0.56
LMNA P02545 3/20 0.56
MAPK1 P28482 2/20 0.56
RORC P51449 1/20 0.55
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
GAA P10253 1/20 0.55
POLB P06746 1/20 0.53
TP53 P04637 1/20 0.52
PKM P14618 3/20 0.47
TRPV1 Q8NER1 1/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 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
SCHEMBL11009493 0.88 ALDH1A1 (0.60) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL4959345 0.87 ALDH1A1 (0.60) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL4959353 0.87 ALDH1A1 (0.60) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL6811979 0.85 ALDH1A1 (0.58) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL7073743 0.85 ALDH1A1 (0.58) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL30508352 0.85 ALDH1A1 (0.58) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL26416850 0.84 ALDH1A1 (0.67) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL9869867 0.83 ALDH1A1 (0.55) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL22734230 0.83 ALDH1A1 (0.65) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL27470288 0.83 ALDH1A1 (0.59) ALDH1A1MAPTHTTLMNAMAPK1

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