SCHEMBL7586510

SCHEMBL7586510

Cc1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.52
MAP4K4 O95819 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HSP90AA1 P07900 1/20 0.44
XBP1 P17861 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC22A12 Q96S37 1/20 0.42
DCK P27707 1/20 0.41

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
SCHEMBL24507690 0.91 MAP4K4 (0.56) ARMAP4K4POLBGAASLC22A12
SCHEMBL26714156 0.87 POLB (0.54) ARMAP4K4TSHRNPC1RAB9A
SCHEMBL16202033 0.87 MAP4K4 (0.50) ARMAP4K4TSHRNPC1RAB9A
SCHEMBL27423640 0.86 SMN1; SMN2 (0.62) MAP4K4SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL5081706 0.82 AR (0.53) ARMAP4K4SMN1; SMN2NPC1RAB9A
SCHEMBL7586504 0.82 MAP4K4 (0.49) ARMAP4K4POLBGAASLC22A12
SCHEMBL10073931 0.82 MAP4K4 (0.55) MAP4K4SMN1; SMN2POLBGAAMAPT
SCHEMBL28625665 0.82 AR (0.61) ARSMN1; SMN2TSHRNPC1RAB9A
SCHEMBL18826200 0.82 AR (0.49) ARMAP4K4SMN1; SMN2NPC1RAB9A
SCHEMBL7173106 0.81 MAP4K4 (0.50) MAP4K4SMN1; SMN2NPC1RAB9APOLB

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-0946093-B1 FUNGICIDAL COMPOSITIONS BASED ON (N-PHENYLACETYL-N-2,6-XYLYL)METHYL ALANINATE ISAGRO SPA (IT) 2002-08-28 EP claimed
WO-2017060917-A1 PROCESS FOR THE PREPARATION OF AZOXYSTROBIN GSP CROP SCIENCE PVT. LTD, (IN) 2017-04-13 WO disclosed