SCHEMBL11214145

SCHEMBL11214145

COC(CN(C)C(=O)Nc1nnc(C(C)(C)SC)s1)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ NPC1 O15118 5/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 4/20 0.33
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ RAF1 P04049 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL11215571 0.86 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2ACYP1A2NPC1
SCHEMBL10821368 0.78 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1LMNATP53KDM4E
SCHEMBL11214313 0.76 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2ACYP1A2NPC1
SCHEMBL11162712 0.74 KMT2A (0.43) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL11216906 0.73 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2ACYP1A2NPC1
SCHEMBL11169766 0.71 MAPT (0.52) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL11215371 0.70 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ACYP1A2NPC1
SCHEMBL11398951 0.69 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11294057 0.68 KMT2A (0.41) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL21518221 0.68 FFAR2 (0.39) MEN1KMT2A

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
US-4314842-A Herbicidal substituted 1,3,4-thiadiazol-2-yl-4-hydroxy-1-methyl-2-imidazolidinones PPG INDUSTRIES, INC. (US) 1982-02-09 — — US disclosed
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