SCHEMBL5081706

SCHEMBL5081706

Cc1cccc(Oc2cc(Oc3ccccc3C#N)ncn2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.53
MAP4K4 O95819 2/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 1/20 0.39
GCK P35557 1/20 0.38
CRHR1 P34998 1/20 0.38
MRGPRX1 Q96LB2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DCK P27707 1/20 0.38

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
SCHEMBL30426714 0.85 AR (0.66) ARALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL24507690 0.85 MAP4K4 (0.56) ARMAP4K4GAAPOLBACHE
SCHEMBL26714156 0.84 POLB (0.54) ARMAP4K4ALDH1A1GAAPOLB
SCHEMBL7586510 0.82 AR (0.52) ARMAP4K4ALDH1A1GAAPOLB
SCHEMBL16202033 0.81 MAP4K4 (0.50) ARMAP4K4ALDH1A1GAAPOLB
SCHEMBL5498026 0.80 MAP4K4 (0.47) ARMAP4K4GAAPOLBSMN1; SMN2
SCHEMBL12825472 0.77 ACHE (0.55) ARMAP4K4ALDH1A1GAASMN1; SMN2
SCHEMBL10073931 0.77 MAP4K4 (0.55) MAP4K4GAAPOLBSMN1; SMN2MAPT
SCHEMBL7586504 0.77 MAP4K4 (0.49) ARMAP4K4GAAPOLBACHE
SCHEMBL18826200 0.76 AR (0.49) ARMAP4K4GAAPOLBSMN1; SMN2

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
US-20080299222-A1 Bioactive agrichemical compositions and use thereof SCIESSENT LLC 2008-12-04 US disclosed
US-20080292674-A1 Bioactive agrichemical compositions and use thereof SCIESSENT LLC 2008-11-27 US disclosed