SCHEMBL7996323

SCHEMBL7996323

CCOC(=O)c1cnc(C(C)Br)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
FAAH O00519 1/20 0.39
AKR1B1 P15121 1/20 0.38
MAOB P27338 1/20 0.37
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL24351435 0.88 NPC1 (0.46) NLRP3NPC1RAB9AL3MBTL1HDAC4
SCHEMBL2145867 0.78 NLRP3 (0.46) NLRP3NPC1RAB9AL3MBTL1HDAC4
SCHEMBL3715054 0.77 NLRP3 (0.48) NLRP3NPC1RAB9AL3MBTL1HDAC4
SCHEMBL16863134 0.76 L3MBTL1 (0.44) NLRP3NPC1RAB9AL3MBTL1HDAC4
SCHEMBL20239427 0.76 NPC1 (0.44) NLRP3NPC1RAB9AL3MBTL1HDAC4
SCHEMBL8533449 0.75 NLRP3 (0.44) NLRP3NPC1RAB9AL3MBTL1HDAC4
SCHEMBL1912564 0.74 NLRP3 (0.46) NLRP3NPC1RAB9AL3MBTL1HDAC4
SCHEMBL111232 0.74 NLRP3 (0.46) NLRP3NPC1RAB9AL3MBTL1HDAC4
SCHEMBL1705417 0.74 NLRP3 (0.46) NLRP3NPC1RAB9AHDAC4HDAC6
SCHEMBL1539500 0.74 NLRP3 (0.46) NLRP3NPC1RAB9AL3MBTL1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297374-B1 Nitroimino-nitromethylene—azole or-azine heterocyclic compounds, insecticidal compositions containing them, and insecticidal methods of using them NIHON BAYER AGROCHEM K.K. (JP) 2001-10-02 US disclosed
US-6022967-A 1-NITRO-2-CARBOXYVINYL- OR 1-NITRO-2-(DIMETHYLAMINO)VINYL-SUBSTITUTED IMIDAZOLIDINES OR TETRAHYDROPYRIMIDINES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-08 US disclosed
US-5750704-A INSECTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-12 US disclosed
US-5580889-A Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics NIHON BAYER AGROCHEM K.K. (JP) 1996-12-03 US disclosed
US-5461167-A 2-chloro-5-chloromethyl thiazole; insecticide NIHON BAYER AGROCHEM K.K. (JP) 1995-10-24 US disclosed
US-5428032-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1995-06-27 US disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 US disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP disclosed