SCHEMBL4690962

SCHEMBL4690962

CCOC(=O)NNC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
ALDH1A1 P00352 3/20 0.59
POLB P06746 1/20 0.59
NPSR1 Q6W5P4 1/20 0.58
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
TLR7 Q9NYK1 3/20 0.54
GAA P10253 2/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52

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
Benzene SCHEMBL28007503 0.88 POLB (0.60) HDAC3HDAC1HDAC2ALDH1A1POLB
SCHEMBL24073601 0.87 HDAC3 (0.58) HDAC3HDAC1HDAC2ALDH1A1POLB
SCHEMBL30786693 0.81 CES2 (0.61) HDAC3HDAC1HDAC2ALDH1A1POLB
SCHEMBL1994068 0.81 CES2 (0.61) HDAC3HDAC1HDAC2ALDH1A1POLB
SCHEMBL1423257 0.81 ALDH1A1 (0.55) HDAC3HDAC1HDAC2ALDH1A1POLB
SCHEMBL4766873 0.79 KCNK3 (0.72) HDAC3HDAC1HDAC2ALDH1A1POLB
SCHEMBL1972781 0.79 ALDH1A1 (0.63) HDAC3HDAC1HDAC2ALDH1A1POLB
SCHEMBL20557435 0.79 SMN1; SMN2 (0.56) ALDH1A1POLBGAAHTTMEN1
SCHEMBL3673984 0.79 SMN1; SMN2 (0.56) ALDH1A1POLBNPSR1GAAMEN1
SCHEMBL8740128 0.78 KMT2A (0.70) ALDH1A1POLBNPSR1GAAMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054875-B1 INSECTICIDAL DIHYDRO-OXADIAZINES, -THIADIAZINES AND -TRIAZINES CHEMTURA CORP (US) 2008-04-23 EP disclosed
CN-1162410-C Insecticidal dihydrooxadiazines, dihydrothiadiazines and dihydrotriazines �Ϻ���ͨ��ѧ 2004-08-18 CN disclosed
CN-1290257-A Insecticidal dihydro-oxadiazines, -thiadiazines and triazines UNIROYAL CHEM CO INC (US) 2001-04-04 CN disclosed
US-6197766-B1 CONTROLLING PLANT INSECTS UNIROYAL CHEMICAL COMPANY, INC. AND UNIROYAL CHEMICAL CO. 2001-03-06 US disclosed
EP-1054875-A1 INSECTICIDAL DIHYDRO-OXADIAZINES, -THIADIAZINES AND -TRIAZINES UNIROYAL CHEMICAL COMPANY, Inc. (US) 2000-11-29 EP disclosed
US-6011034-A Insecticidal dihydrooxadiazine compounds UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-01-04 US disclosed
WO-1999041245-A1 INSECTICIDAL DIHYDRO-OXADIAZINES, -THIADIAZINES AND -TRIAZINES UNIROYAL CHEMICAL COMPANY, INC. (US) 1999-08-19 WO disclosed