SCHEMBL5315419

SCHEMBL5315419

C[Si](C)(C)CCCOc1ccc([N+](=O)[O-])cc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
ALDH1A1 P00352 5/20 0.48
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ERN1 O75460 2/20 0.47
RAB9A P51151 2/20 0.45
CA9 Q16790 1/20 0.44
HPGD P15428 4/20 0.44
CYP2D6 P10635 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
S1PR4 O95977 1/20 0.43
MAPK1 P28482 1/20 0.42
CYP19A1 P11511 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL34474758 0.87 MAPT (0.47) MAPTALDH1A1LMNASMN1; SMN2ERN1
SCHEMBL31327257 0.85 MAPT (0.55) MAPTALDH1A1LMNASMN1; SMN2ERN1
SCHEMBL28825735 0.85 MAPT (0.55) MAPTALDH1A1LMNASMN1; SMN2ERN1
SCHEMBL215546 0.83 CYP19A1 (0.54) MAPTALDH1A1LMNASMN1; SMN2ERN1
SCHEMBL9480938 0.82 CYP19A1 (0.57) MAPTALDH1A1LMNASMN1; SMN2ERN1
SCHEMBL5313811 0.82 RAB9A (0.49) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL5318142 0.82 MAPT (0.57) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL9825468 0.82 MAPT (0.51) MAPTALDH1A1LMNASMN1; SMN2ERN1
SCHEMBL4998777 0.81 MAPT (0.56) MAPTALDH1A1LMNASMN1; SMN2ERN1
SCHEMBL7400011 0.81 MAPT (0.50) MAPTALDH1A1LMNASMN1; SMN2ERN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007061966-A2 AMIDINYLPHENYL COMPOUNDS AND THEIR USE AS FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-05-31 WO disclosed