SCHEMBL3173646

SCHEMBL3173646

O=C1C=CC(=O)N1c1cc(OOc2cc(N3C(=O)C=CC3=O)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.43
MGLL Q99685 11/20 0.42
FAAH O00519 4/20 0.42
CCR6 P51684 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
NSD2 O96028 1/20 0.37
G6PD P11413 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
SOD1 P00441 1/20 0.36
CYP1A2 P05177 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL6048054 0.90 MGLL (0.46) HSP90AA1MGLLFAAHCCR6MEN1
SCHEMBL3169311 0.88 MGLL (0.45) HSP90AA1MGLLFAAHCCR6MEN1
SCHEMBL3163637 0.87 MGLL (0.51) HSP90AA1MGLLFAAHCCR6MEN1
SCHEMBL8730226 0.85 CCR6 (0.48) HSP90AA1MGLLFAAHCCR6PKM
SCHEMBL3179009 0.83 MGLL (0.47) HSP90AA1MGLLFAAHALDH1A1PKM
SCHEMBL3169376 0.80 HSP90AA1 (0.44) HSP90AA1MGLLFAAHCCR6ALDH1A1
SCHEMBL8766785 0.79 MGLL (0.44) HSP90AA1MGLLFAAHCCR6MEN1
SCHEMBL31179960 0.79 MGLL (0.58) HSP90AA1MGLLFAAHCCR6MEN1
SCHEMBL8999913 0.77 CCR6 (0.41) HSP90AA1MGLLFAAHCCR6NSD2
SCHEMBL27558828 0.77 MGLL (0.46) HSP90AA1MGLLFAAHCCR6PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649027-B2 having juts via photopolymerization in supercritical carbon dioxide; calcining KANSAI PAINT CO., LTD. (JP) 2010-01-19 US disclosed
US-20090023830-A1 POLYMER AND PROCESS FOR PRODUCING POLYMER KANSAI PAINT CO., LTD. (JP) 2009-01-22 US disclosed
EP-1698647-A1 POLYMER AND PROCESS FOR PRODUCING POLYMER KANSAI PAINT CO., LTD. (JP) 2006-09-06 EP disclosed