SCHEMBL6544095

SCHEMBL6544095

CON=C(C(C)=NN=Cc1ccccc1N(OC)C(=O)OC)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 6/20 0.35
NPC1 O15118 5/20 0.35
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 6/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31

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
SCHEMBL6544093 1.00 ALDH1A1 (0.36) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6691555 0.89 ALDH1A1 (0.37) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6691558 0.89 ALDH1A1 (0.37) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6693329 0.85 ALDH1A1 (0.38) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6693312 0.85 ALDH1A1 (0.38) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6693321 0.85 ADORA2A (0.35) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6697272 0.80 KMT2A (0.35) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6697276 0.80 KMT2A (0.35) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6701391 0.76 KMT2A (0.35) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6701395 0.76 KMT2A (0.35) ALDH1A1RAB9ANPC1MAPTSMN1; 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
EP-1175394-B1 N-ALKOXY-N-PHENYLCARBAMATE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-01-02 EP disclosed
US-6486341-B1 N-alkoxy-n-phenylcarbamate derivatives BAYER AKTIENGESELLSCHAFT (DE) 2002-11-26 US disclosed