SCHEMBL11856639

SCHEMBL11856639

O=S(=O)(c1cccc(CCl)c1)C(Cl)(Cl)SCl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ TNF P01375 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.37
▸ HTR6 P50406 2/20 0.35
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ CYP19A1 P11511 3/20 0.31
▸ MRGPRX4 Q96LA9 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ PGR P06401 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
SCHEMBL21246255 0.79 ALDH1A1 (0.44) TSHRNPC1TNFRAB9ANOD1
SCHEMBL11848616 0.77 PGR (0.45) PGR
SCHEMBL11851111 0.76 KMT2A (0.46) ACHE
SCHEMBL1598016 0.74 ALDH1A1 (0.48) TSHRNPC1TNFRAB9ANOD1
SCHEMBL11815889 0.74 ALDH1A1 (0.46) TSHRHTR6CA1CA2
SCHEMBL4313800 0.73 TSHR (0.52) TSHRNPC1TNFRAB9ANOD1
SCHEMBL246236 0.73 CA2 (0.61) HTR6CA1CA2
SCHEMBL30661269 0.73 DRD2 (0.48) TSHRNPC1TNFRAB9ANOD1
SCHEMBL710198 0.73 DRD2 (0.48) TSHRNPC1TNFRAB9ANOD1
SCHEMBL30606660 0.72 TSHR (0.46) TSHRNPC1TNFRAB9ANOD1

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-3988375-A HERBICIDES MONSANTO COMPANY (US) 1976-10-26 — — US disclosed
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