SCHEMBL7877675

SCHEMBL7877675

Cc1cnc(-n2ccc(C(F)(F)F)n2)nc1Oc1cccc(C(F)(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA3 P34903 2/20 0.37
PRMT6 Q96LA8 1/20 0.37
IDH1 O75874 8/20 0.36
IDH2 P48735 1/20 0.36
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
BCL6 P41182 1/20 0.32
CYP17A1 P05093 1/20 0.31
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 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
SCHEMBL25315185 0.83 ALOX5AP (0.41) GABRA1GABRG2GABRB3GABRA3IDH1
SCHEMBL30465886 0.83 ALOX5AP (0.41) GABRA1GABRG2GABRB3GABRA3IDH1
SCHEMBL7873623 0.81 ALDH1A1 (0.44) MAPT
SCHEMBL6723685 0.76 PRMT6 (0.37) GABRA1GABRG2GABRB3PRMT6IDH1
SCHEMBL6183941 0.72 PRMT6 (0.42) PRMT6IDH1IDH2BCL6NPC1
SCHEMBL6182361 0.71 PRMT6 (0.41) PRMT6IDH1IDH2BCL6NPC1
SCHEMBL5209985 0.70 HSP90AA1 (0.39) PRMT6IDH1IDH2MAPTRAB9A
SCHEMBL5205299 0.70 KIT (0.39) IDH1IDH2MAPTGRIN1GRIN2B
SCHEMBL30834433 0.70 RXRA (0.35) GABRA1GABRG2GABRB3GABRA3PRMT6
SCHEMBL7881269 0.68 ALDH1A1 (0.40) IDH1IDH2MAPT

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
US-6172005-B1 CONTROLLING UNDESIRABLE VEGETATION E. I. DU PONT DE NEMOURS AND COMPANY 2001-01-09 US claimed
EP-0970072-A1 HETEROARYL AZOLE HERBICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2000-01-12 EP claimed
WO-1998040379-A1 HETEROARYL AZOLE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-09-17 WO claimed
US-6172005-B1 CONTROLLING UNDESIRABLE VEGETATION E. I. DU PONT DE NEMOURS AND COMPANY 2001-01-09 US disclosed
EP-0970072-A1 HETEROARYL AZOLE HERBICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2000-01-12 EP disclosed
WO-1998040379-A1 HETEROARYL AZOLE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-09-17 WO disclosed