SCHEMBL18704170

SCHEMBL18704170

CC(C)(C)[Si](C)(C)OC(CC(=O)ON=C(N)CO)c1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 7/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.31
TP53 P04637 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
SCHEMBL18704173 1.00 SMN1; SMN2 (0.36) SMN1; SMN2LMNAKMT2APOLBNPC1
SCHEMBL18704169 1.00 SMN1; SMN2 (0.36) SMN1; SMN2LMNAKMT2APOLBNPC1
SCHEMBL18704218 0.78 FFAR1 (0.36) LMNAKMT2APOLBL3MBTL1MEN1
SCHEMBL18704217 0.78 FFAR1 (0.36) LMNAKMT2APOLBL3MBTL1MEN1
SCHEMBL18704147 0.78 FFAR1 (0.47) LMNAKMT2AMEN1
SCHEMBL18704145 0.78 FFAR1 (0.47) LMNAKMT2AMEN1
SCHEMBL20661145 0.70 UTS2R (0.38) SMN1; SMN2KMT2ARAB9AL3MBTL1MEN1
SCHEMBL20660957 0.69 AOC3 (0.40) SMN1; SMN2LMNAKMT2ARAB9AMAPT
SCHEMBL4024996 0.68 LMNA (0.32) LMNAKMT2A
SCHEMBL16263403 0.68 KCNA5 (0.42) KMT2AL3MBTL1MAPTALDH1A1

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-2017060488-A1 NEW TRPA1 ANTAGONISTS ALMIRALL, S.A. (ES) 2017-04-13 WO disclosed