SCHEMBL21022296

SCHEMBL21022296

CC(=O)C1C(c2ccc(Cl)c(Cl)c2)C1(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
MAOB P27338 6/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
SLC6A3 Q01959 2/20 0.36
SLC6A4 P31645 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 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
SCHEMBL21019239 0.86 NPSR1 (0.44) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL18143600 0.86 NPSR1 (0.44) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL18143599 0.86 NPSR1 (0.44) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL19493390 0.86 NPSR1 (0.44) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL21022380 0.86 NPSR1 (0.44) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL18143601 0.86 NPSR1 (0.44) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL20076620 0.85 SLC9A1 (0.40) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL20076471 0.85 NPSR1 (0.50) NPSR1MEN1KMT2AMAPTALDH1A1
SCHEMBL30739935 0.85 NPSR1 (0.50) NPSR1MEN1KMT2AMAPTALDH1A1
SCHEMBL23961568 0.84 SLC6A3 (0.47) SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3964495-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2022-03-09 EP disclosed
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed