SCHEMBL11534359

SCHEMBL11534359

CNC(=O)O/N=C(/CSc1nc(C)cs1)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.44
THRB P10828 1/20 0.44
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL11534361 1.00 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1POLBL3MBTL1
SCHEMBL11537721 0.88 MAPT (0.45) SMN1; SMN2RAB9ANPC1POLBL3MBTL1
SCHEMBL11537720 0.88 MAPT (0.45) SMN1; SMN2RAB9ANPC1POLBL3MBTL1
Bromide SCHEMBL11530395 0.87 MAPT (0.44) SMN1; SMN2RAB9ANPC1POLBL3MBTL1
Bromide SCHEMBL11530387 0.87 MAPT (0.44) SMN1; SMN2RAB9ANPC1POLBL3MBTL1
SCHEMBL11545041 0.80 GAA (0.49) SMN1; SMN2RAB9ANPC1POLBL3MBTL1
SCHEMBL11545038 0.80 GAA (0.49) SMN1; SMN2RAB9ANPC1POLBL3MBTL1
SCHEMBL11532623 0.77 KMT2A (0.54) SMN1; SMN2RAB9ANPC1POLBMEN1
SCHEMBL11532626 0.77 KMT2A (0.54) SMN1; SMN2RAB9ANPC1POLBMEN1
SCHEMBL11530907 0.75 TSHR (0.39) SMN1; SMN2L3MBTL1KMT2AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4154733-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-15 US claimed
US-4156082-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-22 US disclosed
US-4154732-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-15 US disclosed
US-4154733-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-15 US disclosed
US-4154944-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-15 US disclosed
US-4118389-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1978-10-03 US disclosed