SCHEMBL9835586

SCHEMBL9835586

CCON(C(=O)Cl)c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 1/20 0.37
RIPK1 Q13546 3/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 2/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAOB P27338 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4697782 0.76 TSHR (0.40) MAPTPOLBRAB9ARIPK1CES2
SCHEMBL9337268 0.70 TSHR (0.40) MAPTPOLBRAB9ARIPK1CES2
SCHEMBL4699159 0.70 PSEN1 (0.39) MAPTCES2CES1HTTMEN1
SCHEMBL9835594 0.70 HRH4 (0.41) MAPTMEN1KMT2A
SCHEMBL6451749 0.68 CYP3A4 (0.46) RIPK1CES2CES1HTTMEN1
SCHEMBL6453516 0.66 ADORA2A (0.47) MAPTRAB9AMEN1LMNAKMT2A
SCHEMBL5716046 0.65 CYP3A4 (0.46) MAPTRIPK1CES2CES1HTT
SCHEMBL2096358 0.65 HTT (0.46) MAPTRAB9ARIPK1CES2CES1
SCHEMBL2096355 0.65 HTT (0.46) MAPTPOLBRIPK1CES2CES1
SCHEMBL7002940 0.65 FSCN1 (0.49) MAPTRIPK1CES2CES1HTT

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