SCHEMBL11537720

SCHEMBL11537720

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL11537721 1.00 MAPT (0.45) MAPTHTR1AHTR2AHTR7LMNA
Bromide SCHEMBL11530387 0.99 MAPT (0.44) MAPTHTR1AHTR2AHTR7LMNA
Bromide SCHEMBL11530395 0.99 MAPT (0.44) MAPTHTR1AHTR2AHTR7LMNA
SCHEMBL11534361 0.88 SMN1; SMN2 (0.49) MAPTSMN1; SMN2ALDH1A1KMT2ARAB9A
SCHEMBL11534359 0.88 SMN1; SMN2 (0.49) MAPTSMN1; SMN2ALDH1A1KMT2ARAB9A
SCHEMBL11545038 0.75 GAA (0.49) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL11545041 0.75 GAA (0.49) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL11530907 0.73 TSHR (0.39) SMN1; SMN2ALDH1A1KMT2AL3MBTL1HPGD
SCHEMBL11530902 0.73 TSHR (0.39) SMN1; SMN2ALDH1A1KMT2AL3MBTL1HPGD
SCHEMBL11533119 0.72 ALDH1A1 (0.40) LMNASMN1; SMN2ALDH1A1

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

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