SCHEMBL15636766

SCHEMBL15636766

Clc1[c]ccc(-c2ncc(Cl)cc2Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
APEX1 P27695 1/20 0.36
METAP2 P50579 1/20 0.34
MAPK1 P28482 2/20 0.32
PLAU P00749 1/20 0.32
PTGS2 P35354 5/20 0.31
PTGS1 P23219 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ABCC4 O15439 1/20 0.31
ABCB11 O95342 1/20 0.31
PDE4D Q08499 1/20 0.31
MAPK14 Q16539 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 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
SCHEMBL15638358 0.83 CNR2 (0.40) CNR2SMN1; SMN2LMNACYP2C9TSHR
SCHEMBL15637705 0.80 ALDH1A1 (0.39) CNR2SMN1; SMN2LMNACYP2C9TSHR
SCHEMBL15637294 0.76 CNR2 (0.39) CNR2METAP2
SCHEMBL10599588 0.74 AHR (0.43) TSHRALDH1A1
SCHEMBL15637738 0.73 GABRG2 (0.37)
SCHEMBL11376819 0.72 CNR2 (0.39) CNR2SMN1; SMN2LMNACYP2C9TSHR
SCHEMBL5584076 0.72 AHR (0.35)
SCHEMBL4181890 0.70 PTGS2 (0.57) CNR2SMN1; SMN2LMNACYP2C9TSHR
SCHEMBL9362233 0.70 GUSB (0.51) CNR2TSHRMAPK1
SCHEMBL18356746 0.69 MAPK1 (0.53) CNR2SMN1; SMN2LMNACYP2C9TSHR

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-2903440-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer CropScience AG (DE) 2015-08-12 EP disclosed
WO-2014053450-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2014-04-10 WO disclosed