SCHEMBL13817838

SCHEMBL13817838

CN(C)C(=O)OC1=C(c2ccc(Br)cc2Cl)C(=O)NC(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 4/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 5/20 0.37
OPRD1 P41143 1/20 0.32
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 2/20 0.30
TDP2 O95551 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL13817837 0.78 BUB1 (0.36) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL14001512 0.71 GSK3B (0.44) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL13817813 0.68
SCHEMBL13817835 0.66 HTT (0.43) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL30512977 0.64 HTT (0.58) ALDH1A1SMN1; SMN2NPSR1KDM4ETDP2
SCHEMBL13817830 0.62 HTT (0.42) ALDH1A1SMN1; SMN2KDM4ETDP2CYP1A2
SCHEMBL13817791 0.61 HTT (0.38) ALDH1A1KDM4E
SCHEMBL13817808 0.59 BUB1 (0.32)
SCHEMBL4500590 0.59 ALDH1A1 (0.74) NCEH1MAPTALDH1A1OPRD1LMNA
SCHEMBL8337615 0.58 NCEH1 (0.58) NCEH1MAPTALDH1A1NPC1RAB9A

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-7547660-B2 Phenyl-substituted 4-hydroxy-tetrahydropyridones BAYER AKTIENGESELLSCHAFT (DE) 2009-06-16 US disclosed
US-7547660-B2 Phenyl-substituted 4-hydroxy-tetrahydropyridones BAYER AKTIENGESELLSCHAFT (DE) 2009-06-16 US disclosed
EP-1276741-B1 PHENYL SUBSTITUTED 4-HYDROXY TETRAHYDROPYRIDONE AND ITS USE AS PESTICIDE AND HERBICIDE BAYER CROPSCIENCE AG (DE) 2008-12-31 EP disclosed