SCHEMBL11083086

SCHEMBL11083086

N#CCc1c(Cl)cc2c(c1Cl)OCO2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL11085190 0.80 POLB (0.33) CYP3A4POLB
SCHEMBL1465462 0.75 ALDH1A1 (0.36) MAPTMEN1KMT2ANPSR1CYP3A4
SCHEMBL29360916 0.74 MAPT (0.45) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL2382336 0.74 MAPT (0.45) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL11085085 0.70 MAPT (0.32) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL11085062 0.70 MAPT (0.33) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL8524210 0.70 AHR (0.35) CYP3A4POLB
SCHEMBL11083792 0.69 CYP3A4 (0.50) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL11085748 0.68 AHR (0.34) MAPTMEN1KMT2ANPSR1CYP3A4
SCHEMBL231938 0.68 AOC3 (0.41) MAPTMEN1KMT2ALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4427666-A 3,5-Dihalogeno-1,2-methylenedioxybenzene arthropodicide synergizing agents BAYER AKTIENGESELLSCHAFT (DE) 1984-01-24 US claimed
US-4427666-A 3,5-Dihalogeno-1,2-methylenedioxybenzene arthropodicide synergizing agents BAYER AKTIENGESELLSCHAFT (DE) 1984-01-24 US disclosed
EP-0004902-B1 BENZODIOXOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS SYNERGISTS IN PESTICIDES BAYER AG (DE) 1982-04-21 EP disclosed