SCHEMBL4614047

SCHEMBL4614047

CC(NC(=O)c1c(Cl)ccnc1Cl)c1ncc(Br)cc1Cl.O=C(NCc1ncc(Br)cc1Cl)c1c(Cl)ccnc1Cl

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.35
SLC6A9 P48067 1/20 0.33
POLB P06746 1/20 0.33
S1PR1 P21453 4/20 0.31
S1PR3 Q99500 4/20 0.31
MAPK1 P28482 2/20 0.31
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
CNR1 P21554 2/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
CCR5 P51681 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL68154 0.90 SLC6A9 (0.38) CNR2SLC6A9S1PR1S1PR3MAPK1
SCHEMBL68385 0.88 POLB (0.40) POLBRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL4614052 0.83 KMT2A (0.39) POLBRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL6031138 0.79 MEN1 (0.41) SLC6A9S1PR1S1PR3TYK2
SCHEMBL319697 0.78 KMT2A (0.41) POLBRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL6489914 0.77 SLC6A9 (0.38) SLC6A9MAPK1RAB9ANPC1JAK2
SCHEMBL6030405 0.77 P2RX7 (0.43) POLBMAPK1HPGDSMN1; SMN2ALDH1A1
SCHEMBL6480960 0.74 POLB (0.40) POLBMAPK1NPC1HPGDSMN1; SMN2
SCHEMBL6030604 0.74 KMT2A (0.53) POLBMAPK1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6030503 0.74 KMT2A (0.53) POLBMAPK1SMN1; SMN2ALDH1A1LMNA

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-1904473-A1 BENZOHETEROCYCLYLETHYLCARBOXAMIDE DERIVATIVES Bayer CropScience S.A. (FR) 2008-04-02 EP disclosed
WO-2007006739-A1 BENZOHETEROCYCLYLETHYLCARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-01-18 WO disclosed