SCHEMBL4399735

SCHEMBL4399735

[c]1cccc2cc(-c3ccncc3)cnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 10/20 0.56
PDGFRA P16234 10/20 0.56
KDM4E B2RXH2 3/20 0.50
EGFR P00533 1/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL3824244 0.86 KDM4E (0.47) PDGFRBPDGFRAKDM4EPIK3CDPIK3CA
SCHEMBL16223776 0.72 ALDH1A1 (0.36) KDM4EEGFRMAPTALDH1A1CYP3A4
SCHEMBL4402445 0.72 CYP2A6 (0.34) CYP1A2CYP2C19KMT2ACYP2A6
SCHEMBL2346887 0.72 PDGFRB (1.00) PDGFRBPDGFRAKDM4EEGFRPIK3CD
SCHEMBL4401093 0.72 CYP2A6 (0.34) KDM4EL3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL2889003 0.72 CYP1A2 (0.50) KDM4EALDH1A1CYP1A2KMT2ACYP2A6
SCHEMBL4397412 0.72 CYP1A2 (0.34) NPC1L3MBTL1CYP1A2CYP2A6
SCHEMBL23954144 0.69 KDM4E (0.66) PDGFRBPDGFRAKDM4EEGFRPIK3CD
SCHEMBL10321126 0.68 CYP1A2 (0.41) EGFRNPC1RAB9AALDH1A1CYP1A2
SCHEMBL19695 0.68 TSHR (0.42) KDM4ENPC1RAB9AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817309-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP claimed