SCHEMBL11607162

SCHEMBL11607162

CCCCN(C(=O)Nc1nnc(S(C)(=O)=O)s1)C(C=O)COC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 10/20 0.38
▸ CA2 P00918 10/20 0.38
▸ CA4 P22748 9/20 0.38
▸ CA9 Q16790 9/20 0.38
▸ CA12 O43570 7/20 0.38
▸ CA3 P07451 7/20 0.38
▸ CA6 P23280 7/20 0.38
▸ CA5A P35218 7/20 0.38
▸ CA7 P43166 7/20 0.38
▸ CA13 Q8N1Q1 7/20 0.38
▸ CA14 Q9ULX7 7/20 0.38
▸ CA5B Q9Y2D0 7/20 0.38
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MAPT P10636 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL11601845 0.94 CA1 (0.38) CA1CA2CA4CA9CA12
SCHEMBL11606128 0.81 SMN1; SMN2 (0.34) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11601840 0.78 ALDH1A1 (0.43) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL10565445 0.76 MAPT (0.47) CA1CA2CA4CA9CA12
SCHEMBL11704507 0.75 CA1 (0.47) CA1CA2CA4CA9CA12
SCHEMBL11604480 0.74 GLS (0.38) MAPTRAB9ASMN1; SMN2
SCHEMBL11603565 0.73 POLQ (0.33) SMN1; SMN2
SCHEMBL11602999 0.72 POLB (0.40) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11606500 0.71 NPSR1 (0.47) MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL11690673 0.71 CA1 (0.43) CA1CA2CA4CA9CA12

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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