SCHEMBL3401595

SCHEMBL3401595

O=C(O)c1ccc(-c2c[nH]c(-c3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.50
TPX2 Q9ULW0 1/20 0.50
FAAH O00519 1/20 0.46
EPHX2 P34913 1/20 0.46
GRK6 P43250 1/20 0.46
DHODH Q02127 2/20 0.45
ADORA3 P0DMS8 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GCGR P47871 1/20 0.43
GIPR P48546 1/20 0.43
CHEK2 O96017 1/20 0.43
CHEK1 O14757 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM5A P29375 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL15967361 0.81 GRK6 (0.49) AURKATPX2GRK6DHODHADORA3
SCHEMBL26464281 0.81 TRPV1 (0.41) GRK6ADORA3NPC1RAB9AALDH1A1
SCHEMBL3401143 0.81 CCNT1 (0.43) GRK6ADORA3NPC1RAB9AALDH1A1
SCHEMBL26464150 0.81 ALOX5 (0.50) GRK6DHODHADORA3NPC1RAB9A
SCHEMBL5183408 0.81 KDM4E (0.51) NPC1RAB9ACHEK1ALDH1A1KDM4E
SCHEMBL26096161 0.79 GRK6 (0.39) GRK6ADORA3NPC1RAB9AALDH1A1
SCHEMBL505538 0.79 AURKA (0.69) AURKATPX2FAAHEPHX2ALDH1A1
SCHEMBL26095847 0.77 SCN10A (0.50) ADORA3NPC1RAB9AP2RY14ABL1
SCHEMBL219654 0.77 EPHX2 (0.68) AURKATPX2FAAHEPHX2NPC1
SCHEMBL4893706 0.76 KDM5A (0.51) AURKATPX2FAAHEPHX2DHODH

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-2247603-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2010-11-10 EP disclosed
WO-2009102736-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2009-08-20 WO disclosed