SCHEMBL9428779

SCHEMBL9428779

Clc1cccc(Oc2ccc(CBr)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.44
LPAR5 Q9H1C0 1/20 0.44
AR P10275 1/20 0.43
MAOB P27338 2/20 0.42
SLC6A4 P31645 2/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HTR2A P28223 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL10879362 0.87 SLC6A4 (0.46) LPAR1LPAR5ARMAOBSLC6A4
SCHEMBL10715309 0.84 MAPT (0.54) ARMAOBSLC6A4SLC6A2SLC6A3
SCHEMBL32670495 0.84 LPAR1 (0.45) LPAR1LPAR5ARMAOBSLC6A4
SCHEMBL507152 0.84 ST14 (0.62) LPAR1LPAR5ARMAOBSCN5A
SCHEMBL9502764 0.84 LPAR1 (0.45) LPAR1LPAR5ARMAOBSLC6A4
SCHEMBL1563522 0.83 CARM1 (0.46) MAOBALDH1A1MAPTST14PGR
SCHEMBL4169367 0.82 ALDH1A1 (0.58) MAOBALDH1A1MEN1MITFGAA
SCHEMBL12603799 0.82 ALDH1A1 (0.48) LPAR1LPAR5ARMAOBSLC6A4
SCHEMBL6824043 0.81 MAOB (0.52) MAOBST14
SCHEMBL29349910 0.81 MAOA (0.52) ARMAOBSLC6A4HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5280036-A Containing 4h-1,24-triazole ring BASF AKTIENGESELLSCHAFT (DE) 1994-01-18 US disclosed
US-5214064-A Insecticides, nematocides, miticides BASF AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
EP-0289919-B1 N-SUBSTITUTED AZOLES BASF Aktiengesellschaft (DE) 1993-03-17 EP disclosed
US-5187182-A Insecticides, nematocides BASF AKTIENGESELLSCHAFT (DE) 1993-02-16 US disclosed
US-5185359-A N-phenoxphenyloxymethyl substituted azoles and method for controlling pests therewith BASF AKTIENGESELLSCHAFT (DE) 1993-02-09 US disclosed
US-5116860-A N-SUBSTITUTED AZOLES FOR COMBATING INSECTS, ARACHNIDS AND NEMATODES BASF AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed
US-4943585-A N-substituted azoles and insecticide, arachnicide, and nematocide compositions thereof BASF AKTIENGESELLSCHAFT (DE) 1990-07-24 US disclosed
EP-0289919-A2 N-Substituted azoles BASF Aktiengesellschaft (DE) 1988-11-09 EP disclosed