SCHEMBL9838522

SCHEMBL9838522

COC(=O)COc1cc(F)c(OC(=O)N2CCCC2)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
GPR174 Q9BXC1 2/20 0.44
MAPT P10636 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 7/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
EPHX2 P34913 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL23830693 0.81 HMGCR (0.44) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL9838538 0.80 GPR174 (0.45) KDM4EGPR174MAPTKMT2AMEN1
SCHEMBL9369168 0.80 MAPT (0.47) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL30662465 0.80 MAPT (0.47) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL10595171 0.76 MAPT (0.42) KDM4EMAPTKMT2AMEN1CYP1A2
SCHEMBL16063490 0.73 KDM4E (0.40) KDM4EGPR174MAPTKMT2AMEN1
SCHEMBL5215471 0.73 SCN9A (0.44) KDM4EGPR174MAPTKMT2AMEN1
SCHEMBL16063512 0.73 KDM4E (0.41) KDM4EGPR174MAPTKMT2AMEN1
SCHEMBL12110129 0.72 ESR2 (0.45) KDM4EMAPTKMT2AMEN1CYP1A2
SCHEMBL29195279 0.71 LMNA (0.58) KDM4EMAPTKMT2AMEN1ALDH1A1

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-4994104-A Tetrahydrophthalimide carbamate herbicidal compositions FMC CORPORATION (US) 1991-02-19 US disclosed