SCHEMBL3410795

SCHEMBL3410795

Cc1[c]cc(C2CC2)c(-c2ccccc2Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.37
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR1A P08908 4/20 0.33
HTR7 P34969 4/20 0.33
MAPK14 Q16539 3/20 0.33
HSD11B1 P28845 2/20 0.33
SLC9A1 P19634 1/20 0.33
TP53 P04637 1/20 0.32
RECQL P46063 1/20 0.32
MAT2A P31153 1/20 0.32
ABL1 P00519 1/20 0.32
CYP2A6 P11509 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
STAT6 P42226 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 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
SCHEMBL1980000 0.77 PLA2G7 (0.51) PLA2G7POLBKMT2AHSD11B1TP53
SCHEMBL3410793 0.73 PLA2G7 (0.37) PLA2G7POLBKMT2AHTR1AHTR7
SCHEMBL15063673 0.69 NOTUM (0.34)
SCHEMBL15064001 0.65 NOTUM (0.31)
SCHEMBL458016 0.65 CYP2A6 (0.48) PLA2G7POLBKMT2AHSD11B1TP53
SCHEMBL7463096 0.65 CYP2A6 (0.43) KMT2AHSD11B1TP53CYP2A6ALDH1A1
SCHEMBL6852286 0.64 KMT2A (0.43) PLA2G7POLBKMT2AHSD11B1TP53
SCHEMBL1897406 0.64 TP53 (0.57) TP53RECQLLMNA
SCHEMBL1979999 0.64 PLA2G7 (0.43) PLA2G7POLBKMT2AHSD11B1TP53
SCHEMBL15636889 0.64 CYP2A6 (0.47) PLA2G7POLBKMT2AHSD11B1CYP2A6

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-2260032-A2 FUNGICIDAL HETERCYCLIC COMPOUNDS E. I. du Pont de Nemours and Company (US) 2010-12-15 EP disclosed
WO-2009094445-A2 FUNGICIDAL HETERCYCLIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-30 WO disclosed