SCHEMBL9669407

SCHEMBL9669407

Clc1ccccc1C=C(CBr)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTPN1 P18031 1/20 0.38
GSK3B P49841 1/20 0.38
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
EGFR P00533 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
MAOB P27338 1/20 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
SCHEMBL9669401 1.00 TRPA1 (0.44) TRPA1ALDH1A1MEN1KMT2ALMNA
SCHEMBL29966926 0.87 MAPT (0.47) TRPA1ALDH1A1MEN1KMT2ALMNA
SCHEMBL9733987 0.87 MAPT (0.47) TRPA1ALDH1A1MEN1KMT2ALMNA
SCHEMBL9668754 0.87 MAPT (0.47) TRPA1ALDH1A1MEN1KMT2ALMNA
SCHEMBL9733978 0.87 MAPT (0.47) TRPA1ALDH1A1MEN1KMT2ALMNA
SCHEMBL3467387 0.83 PDPK1 (0.45) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL3467390 0.83 PDPK1 (0.45) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL3466707 0.81 SMN1; SMN2 (0.37) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL3466709 0.81 SMN1; SMN2 (0.37) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL3465756 0.76 LMNA (0.40) ALDH1A1MEN1KMT2ALMNAHPGD

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
CN-1858031-A New synthetic method for (2)-1, 2 diaryl-3-choro propylene-(1) SHENGNONG BIOCHEMICAL PRODUCT (CN) 2006-11-08 CN disclosed
EP-0315850-B1 METHOD FOR INFLUENCING PLANT GROWTH BY AZOLYL METHYL OXIRANES BASF Aktiengesellschaft (DE) 1992-07-15 EP disclosed
US-4906652-A Azolymethyloxiranes and their use as crop protection agents BASF AKTIENGESELLSCHAFT (DE) 1990-03-06 US disclosed
EP-0315850-A2 Method for influencing plant growth by azolyl methyl oxiranes BASF Aktiengesellschaft (DE) 1989-05-17 EP disclosed