SCHEMBL3628951

SCHEMBL3628951

O=S(=O)(c1ccncc1)C(I)I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.36
▸ LMNA P02545 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ NAPRT Q6XQN6 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL3626861 0.76 KMT2A (0.34) LMNAALDH1A1MAPTNFE2L2SMN1; SMN2
SCHEMBL6096851 0.76 HPGD (0.38) LMNAALDH1A1MAPTNFE2L2SMN1; SMN2
SCHEMBL751577 0.75 HTR6 (0.50) LMNAALDH1A1MAPTSMN1; SMN2CA1
SCHEMBL7297876 0.74 HPGD (0.37) LMNAALDH1A1MAPTNFE2L2SMN1; SMN2
SCHEMBL11761525 0.73 CA1 (0.46) CA1CA2
SCHEMBL7297885 0.73 HPGD (0.40) LMNAALDH1A1NPC1KMT2AMAOA
SCHEMBL16977343 0.72 HDAC8 (0.41) HDAC8LMNAALDH1A1MAPTNFE2L2
SCHEMBL21818 0.71 GAA (0.54) ALDH1A1MAPTSMN1; SMN2KMT2ACA1
SCHEMBL751346 0.71 TSHR (0.54) LMNAALDH1A1SMN1; SMN2KMT2ACA1
SCHEMBL536323 0.71 ALDH1A1 (0.54) ALDH1A1NPC1KMT2ACA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2216372-B1 Compounds for preventing Ghost odour THOR GMBH (DE) 2014-06-04 — — EP disclosed
US-8287631-B2 Compounds for preventing ghost odour THOR GMBH (DE) 2012-10-16 — — US disclosed
EP-2216372-A1 Compounds for preventing Ghost odour THOR GmbH (DE) 2010-08-11 — — EP disclosed
US-20100186631-A1 Compounds for preventing ghost odour THOR GMBH (DE) 2010-07-29 — — US disclosed
Send feedback