SCHEMBL11606128

SCHEMBL11606128

CCCCN(C(=O)Nc1nnc([S+](C)[O-])s1)C(C=O)COC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.32
▸ HSD17B10 Q99714 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ GLS O94925 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ XIAP P98170 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL11607162 0.81 CA1 (0.38) SMN1; SMN2RAB9ANPC1MEN1MAPT
SCHEMBL11601840 0.78 ALDH1A1 (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL11601845 0.75 CA1 (0.38) MEN1KMT2A
SCHEMBL11602999 0.71 POLB (0.40) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL11606500 0.70 NPSR1 (0.47) SMN1; SMN2RAB9AALDH1A1HSD17B10GLS
SCHEMBL11603744 0.70 SMN1; SMN2 (0.41) SMN1; SMN2RAB9AALDH1A1HSD17B10HPGD
SCHEMBL11688050 0.67 — —
SCHEMBL11600436 0.67 MEN1 (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL11551181 0.66 — —
SCHEMBL11588010 0.64 — —

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-4086238-A 1-Thiadiazolyl-4-methoxymethyl-5-hydroxyimidazolidinones VELSICOL CHEMICAL CORPORATION (US) 1978-04-25 — — US disclosed
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