SCHEMBL9558690

SCHEMBL9558690

CC(C)(C)[Si](OCC1CCC(=S)N1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.35
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL9558683 1.00 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2PSEN1
SCHEMBL14285577 1.00 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2PSEN1
SCHEMBL6237907 0.84 SMYD2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL1149963 0.84 SMYD2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL1293220 0.84 SMYD2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL15348614 0.80 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL30141492 0.80 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL15348613 0.80 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL22555041 0.79 CHRNB2 (0.41)
SCHEMBL20678196 0.79 SMYD2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2PSEN1

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
JP-5247043-A None JP disclosed
JP-H05247043-A 2-BIS(ALKOXYCARBONYL)METHYLIDENEPYRROLIDINE DERIVATIVE SAGAMI CHEM RES CENTER 1993-09-24 JP disclosed