SCHEMBL21022129

SCHEMBL21022129

C=C(Nc1ccc(Cl)c(-c2ccc(CC#N)cc2)c1)C1C(c2cc(C)cc(Cl)c2)C1(C)Cl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
AGPAT2 O15120 2/20 0.32
USP28 Q96RU2 1/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL21020662 0.88 MEN1 (0.31) NPC1LMNAMAPTHTTAGPAT2
SCHEMBL21021283 0.85
SCHEMBL21021837 0.81
SCHEMBL21021127 0.80 SLC9A1 (0.33) NPC1LMNAMAPTHTTAGPAT2
SCHEMBL21020672 0.80 MEN1 (0.33) LMNAMAPTUSP28
SCHEMBL21021036 0.79 USP28 (0.31) NPC1LMNAMAPTHTTAGPAT2
SCHEMBL21022269 0.78
SCHEMBL21020810 0.77 LMNA (0.36) NPC1LMNAMAPTHTTAGPAT2
SCHEMBL20076742 0.77 MEN1 (0.31) LMNAMAPT
SCHEMBL21022268 0.76 IL2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed