SCHEMBL11530859

SCHEMBL11530859

CNC(=O)ON=C(CSC1=NCCS1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 7/20 0.43
MAPT P10636 6/20 0.43
HPGD P15428 5/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.38

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
SCHEMBL11530856 1.00 KMT2A (0.43) KMT2AALDH1A1MAPTHPGDLMNA
SCHEMBL11530902 0.74 TSHR (0.39) KMT2AALDH1A1HPGDL3MBTL1GAA
SCHEMBL11530907 0.74 TSHR (0.39) KMT2AALDH1A1HPGDL3MBTL1GAA
SCHEMBL11545041 0.74 GAA (0.49) ALDH1A1MAPTHPGDLMNAPOLB
SCHEMBL11545038 0.74 GAA (0.49) ALDH1A1MAPTHPGDLMNAPOLB
SCHEMBL11533119 0.73 ALDH1A1 (0.40) ALDH1A1LMNAHTTPKMSMN1; SMN2
SCHEMBL11533124 0.73 ALDH1A1 (0.40) ALDH1A1LMNAHTTPKMSMN1; SMN2
Thiofanox SCHEMBL7528288 0.73 TDP1 (0.44) ALDH1A1TDP1TSHR
SCHEMBL678567 0.73 LMNA (0.54) KMT2AALDH1A1MAPTHPGDLMNA
Thiofanox SCHEMBL122112 0.73 TDP1 (0.44) ALDH1A1TDP1TSHR

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-4154733-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-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