SCHEMBL7843550

SCHEMBL7843550

CSc1ncc(C#N)cc1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EGLN2 Q96KS0 5/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HPGDS O60760 2/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
RAF1 P04049 1/20 0.34
GRM5 P41594 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL21657145 0.79 HTT (0.38) MEN1KMT2AEGLN2HTTKDM4E
SCHEMBL846133 0.75 HTT (0.44) EGLN2HTTKDM4EALDH1A1L3MBTL1
SCHEMBL30624366 0.75 HTT (0.44) EGLN2HTTKDM4EALDH1A1L3MBTL1
SCHEMBL12941448 0.74 HTT (0.42) EGLN2HTTKDM4EALDH1A1L3MBTL1
SCHEMBL24595125 0.73 PTGER4 (0.41) MEN1KMT2AEGLN2HTTKDM4E
SCHEMBL21711156 0.73 NOS3 (0.48) MEN1KMT2AKDM4E
SCHEMBL22548595 0.72 HTT (0.41) MEN1KMT2AEGLN2HTTKDM4E
SCHEMBL18882537 0.72 HTT (0.41) EGLN2HTTKDM4EALDH1A1L3MBTL1
SCHEMBL22597993 0.72 HTT (0.41) EGLN2HTTKDM4EALDH1A1L3MBTL1
SCHEMBL480194 0.72 HTT (0.41) EGLN2HTTKDM4EALDH1A1L3MBTL1

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
EP-1114045-A1 2-METHOXYIMINO-2-(PYRIDINYLOXYMETHYL)PHENYL ACETAMIDES WITH 5 MEMBERED HETEROCYCLIC RINGS ON THE PYRIDINE RING AS FUNGICIDES Dow AgroSciences LLC (US) 2001-07-11 EP disclosed
US-6133294-A APPLYING AS FUNGICIDES DOW AGROSCIENCES LLC 2000-10-17 US disclosed
WO-2000015637-A1 2-METHOXYIMINO -2-(PYRIDINYLOXYMETHYL) PHENYL ACETAMIDES WITH 5 MEMBERED HETEROCYCLIC RINGS ON THE PYRIDINE RING AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2000-03-23 WO disclosed