SCHEMBL9729924

SCHEMBL9729924

CC(C)Oc1cc(N)c(Br)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TLR8 Q9NR97 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
CSNK2A1 P68400 2/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL4679808 0.82 HTR2A (0.37) HTR2AHTR2CHTR2BMAPTNPSR1
SCHEMBL28855283 0.82 HTR2A (0.46) HTR2AHTR2CHTR2BMAPTNPSR1
SCHEMBL11544312 0.77 TLR8 (0.42) HTR2CMAPTNPSR1POLBTLR8
SCHEMBL23885270 0.76 POLB (0.58) HTR2AHTR2CMAPTNPSR1POLB
SCHEMBL30052469 0.76 POLB (0.58) HTR2AHTR2CMAPTNPSR1POLB
SCHEMBL1545548 0.73 POLB (0.45) HTR2AHTR2CHTR2BMAPTNPSR1
SCHEMBL2373312 0.73 ALDH1A1 (0.42) HTR2AHTR2CHTR2BMAPTNPSR1
SCHEMBL1272998 0.73 ALDH1A1 (0.42) HTR2AHTR2CHTR2BMAPTNPSR1
SCHEMBL18304935 0.73 POLB (0.45) HTR2AHTR2CHTR2BMAPTNPSR1
SCHEMBL11847519 0.72 CYP3A4 (0.48) POLBL3MBTL1TLR8ALDH1A1CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5136868-A HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC CORPORATION (US) 1992-08-11 US disclosed
EP-0161304-B1 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC Corporation (US) 1990-01-10 EP disclosed
EP-0161304-A4 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF. FMC CORP (US) 1986-04-15 EP disclosed
EP-0161304-A1 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF. FMC CORP (US) 1985-11-21 EP disclosed
WO-1985001939-A1 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC CORPORATION (US) 1985-05-09 WO disclosed