SCHEMBL11766752

SCHEMBL11766752

Cc1cccc(SN(C)C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN2A Q99250 1/20 0.56
▸ TERT O14746 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ACHE P22303 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL11767314 0.81 HPGD (0.41) SCN2ASMN1; SMN2MEN1KMT2AHPGD
Fluoride SCHEMBL11728897 0.79 HPGD (0.39) SCN2ASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL11770964 0.77 ALDH1A1 (0.41) SCN2ASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL24038373 0.77 ACHE (0.48) SCN2ATERTSMN1; SMN2MEN1KMT2A
Fluoride SCHEMBL11734957 0.76 TP53 (0.46) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL11770079 0.75 EPHX1 (0.46) ACHEALDH1A1
M-Xylene SCHEMBL29227714 0.74 ACHE (0.57) PARP1SMN1; SMN2MEN1KMT2AACHE
SCHEMBL3695067 0.74 TDP1 (0.51) SCN2AMEN1KMT2ATDP1NPC1
SCHEMBL22852718 0.73 TERT (0.47) SCN2ATERTPARP1SMN1; SMN2MEN1
SCHEMBL11766308 0.71 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AHPGDTDP1

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-3997549-A INSECTICIDE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1976-12-14 — — US disclosed
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