SCHEMBL9835405

SCHEMBL9835405

O=C(Cl)N(F)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX15 P16050 3/20 0.39
TSHR P16473 3/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.36
CYP2A6 P11509 1/20 0.36
CYP3A4 P08684 2/20 0.36
BCL2A1 Q16548 1/20 0.36
ENPP2 Q13822 1/20 0.36
MAPK1 P28482 2/20 0.35

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
SCHEMBL27641815 0.80 LMNA (0.45) CES2CES1ALDH1A1POLBTDP1
SCHEMBL20560331 0.80 ALDH1A1 (0.41) CES2CES1ALDH1A1TDP1TSHR
SCHEMBL9836319 0.79 EGFR (0.40) ALDH1A1POLBHSD17B10RAB9ASMN1; SMN2
SCHEMBL28248044 0.77 CES2 (0.47) CES2CES1SRD5A2GSK3B
SCHEMBL11870667 0.76 CES2 (0.44) CES2CES1ALDH1A1POLBTDP1
SCHEMBL11682200 0.76 CES2 (0.44) CES2CES1ALDH1A1POLBTDP1
SCHEMBL11503904 0.74 CYP3A4 (0.45) CES2CES1ALDH1A1POLBTDP1
SCHEMBL19707225 0.74 TSHR (0.59) ALDH1A1POLBALOX15TSHRHSD17B10
SCHEMBL8986913 0.73 ALDH1A1 (0.48) CES2CES1ALDH1A1POLBTDP1
SCHEMBL1118695 0.70 NPSR1 (0.52) CES2CES1ALDH1A1POLBTDP1

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