SCHEMBL9836972

SCHEMBL9836972

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
HTT P42858 4/20 0.47
PKM P14618 2/20 0.47
LMNA P02545 4/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
CYP2C9 P11712 2/20 0.45
AURKA O14965 1/20 0.45
PDPK1 O15530 1/20 0.45
JAK2 O60674 1/20 0.45
GMNN O75496 1/20 0.45
EGFR P00533 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
LYN P07948 1/20 0.45

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
SCHEMBL9836360 0.88 HTT (0.48) MAPTALDH1A1HTTPKMLMNA
SCHEMBL9835831 0.84 SMN1; SMN2 (0.57) MAPTALDH1A1HTTPKMLMNA
SCHEMBL9836886 0.84 ALDH1A1 (0.45) MAPTALDH1A1HTTPKMLMNA
SCHEMBL9834529 0.83 USP2 (0.50) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL9835593 0.81 NPSR1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL9835388 0.81 KMT2A (0.48) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL9833790 0.80 SMN1; SMN2 (0.56) MAPTALDH1A1HTTPKMLMNA
SCHEMBL9837321 0.79 LMNA (0.41) MAPTALDH1A1HTTPKMLMNA
SCHEMBL9835398 0.78 SMN1; SMN2 (0.49) ALDH1A1HTTLMNAMEN1NPC1
SCHEMBL9837587 0.78 LMNA (0.47) MAPTALDH1A1HTTLMNAMEN1

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