SCHEMBL8560123

SCHEMBL8560123

COc1ccc(C(=O)Nc2ccccc2C(=O)O)cn1.[NaH]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.60
PIM1 P11309 1/20 0.60
MAPK8 P45983 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60
P4HTM Q9NXG6 2/20 0.57
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 4/20 0.56
HTT P42858 2/20 0.56
KCNH2 Q12809 1/20 0.56
LMNA P02545 2/20 0.55
HPGD P15428 2/20 0.55
DHODH Q02127 1/20 0.55
AHR P35869 1/20 0.54
PKM P14618 1/20 0.52
PLK1 P53350 1/20 0.51
HDAC1 Q13547 1/20 0.50

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
SCHEMBL8564208 0.99 CHEK1 (0.61) CHEK1PIM1MAPK8CLK4P4HTM
SCHEMBL8554348 0.88 TSHR (0.61) P4HTMKMT2AMEN1RAB9ANPC1
SCHEMBL5584774 0.86 MEN1 (0.53) CHEK1PIM1MAPK8CLK4P4HTM
SCHEMBL8560118 0.86 MEN1 (0.53) CHEK1PIM1MAPK8CLK4P4HTM
SCHEMBL5584408 0.83 MEN1 (0.50) CHEK1PIM1MAPK8CLK4P4HTM
SCHEMBL5584406 0.83 PKM (0.52) P4HTMKMT2AMEN1RAB9ANPC1
SCHEMBL12758443 0.81 P4HTM (0.70) CHEK1PIM1MAPK8CLK4P4HTM
SCHEMBL8907998 0.80 F10 (0.48) CHEK1PIM1MAPK8CLK4P4HTM
SCHEMBL8908002 0.80 F10 (0.48) CHEK1PIM1MAPK8CLK4P4HTM
SCHEMBL6834176 0.79 ALB (0.61) CHEK1PIM1MAPK8CLK4P4HTM

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-5756524-A APPLYING TO COMBAT CYTOPATHOGENIC FUNGI AGREVO UK LIMITED (GB) 1998-05-26 US disclosed
EP-0750611-A1 ANILIDE DERIVATIVES AS FUNGICIDES AgrEvo UK Limited (GB) 1997-01-02 EP disclosed
WO-1995025723-A1 ANILIDE DERIVATIVES AS FUNGICIDES AGREVO UK LIMITED (GB) 1995-09-28 WO disclosed