SCHEMBL15516591

SCHEMBL15516591

Clc1cc(C2[CH]CCO2)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.33
KCNJ11 Q14654 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAD51 Q06609 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
SCHEMBL15516781 0.80 SLC6A2 (0.40) ABCC9KCNJ11MEN1LMNAKMT2A
SCHEMBL15516898 0.77 ALDH1A1 (0.32) HPGD
SCHEMBL15516756 0.77 SLC6A2 (0.37)
SCHEMBL23288918 0.75 MEN1 (0.36) ABCC9KCNJ11MEN1LMNAHPGD
SCHEMBL15516784 0.74
SCHEMBL12609600 0.73 GSTO1 (0.45) ABCC9KCNJ11MEN1LMNAHPGD
SCHEMBL12609599 0.73 GSTO1 (0.45) ABCC9KCNJ11MEN1LMNAHPGD
SCHEMBL15517019 0.71
SCHEMBL27332849 0.71 MEN1 (0.38) ABCC9KCNJ11MEN1LMNAHPGD
SCHEMBL15516979 0.69 MEN1 (0.42) MEN1LMNAHPGDALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2887802-A2 METHODS OF SOIL PEST CONTROL Syngenta Participations AG (CH) 2015-07-01 EP disclosed
WO-2014029707-A1 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029706-A2 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029708-A1 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029710-A2 METHODS OF SOIL PEST CONTROL SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014019609-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2014-02-06 WO disclosed