SCHEMBL5318142

SCHEMBL5318142

COc1cc([N+](=O)[O-])ccc1OCCC[Si](C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
HPGD P15428 4/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
LMNA P02545 7/20 0.54
ALDH1A1 P00352 5/20 0.54
KCNA3 P22001 1/20 0.52
KCNA5 P22460 1/20 0.52
HTT P42858 3/20 0.51
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPK1 P28482 2/20 0.46
CYP19A1 P11511 1/20 0.46

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
SCHEMBL2173244 0.85 LMNA (0.52) MAPTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL4038925 0.84 MAPT (0.65) MAPTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL5313811 0.83 RAB9A (0.49) MAPTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL4045709 0.83 MAPT (0.64) MAPTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL1929875 0.83 MAPT (0.60) MAPTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL5315419 0.82 MAPT (0.48) MAPTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL224123 0.81 TDP1 (0.60) MAPTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL4199965 0.81 HTT (0.59) MAPTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL1929569 0.81 MAPT (0.58) MAPTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL2086989 0.81 MAPT (0.61) MAPTSMN1; SMN2HPGDRAB9ANPC1

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