SCHEMBL9436611

SCHEMBL9436611

O=C(O)c1cc(Cl)c(Cl)c(S(=O)(=O)O)c1.[NaH].[NaH]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.48
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
ACLY P53396 3/20 0.45
TSHR P16473 1/20 0.42
TPMT P51580 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SRD5A2 P31213 1/20 0.38
PLAU P00749 1/20 0.38
HCAR1 Q9BXC0 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 1/20 0.37
GPR35 Q9HC97 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
SCHEMBL9040901 0.83 TTR (0.50) TTRLCKFYNACLYTSHR
SCHEMBL9038640 0.81 TTR (0.48) TTRLCKFYNACLYTSHR
SCHEMBL9042101 0.81 CA1 (0.56) TTRACLYTSHRTPMTTDP1
SCHEMBL9436604 0.80 TTR (0.47) TTRLCKFYNACLYTSHR
SCHEMBL7263572 0.77 TTR (0.68) TTRTSHRTPMTTDP1SMN1; SMN2
SCHEMBL1602834 0.76 LCK (0.54) TTRLCKFYNTSHRTPMT
SCHEMBL11418736 0.76 TTR (0.56) TTRLCKFYNTSHRTPMT
SCHEMBL10674455 0.76 CA1 (0.47) ACLYTSHRHSD17B10
SCHEMBL11301328 0.76 TSHR (0.46) TSHRTDP1KMT2ASRD5A2PLAU
SCHEMBL7191187 0.76 TSHR (0.59) TTRLCKFYNTSHRTDP1

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-5373024-A 3,5-Substituted benzoylguanidines, process for their preparation, their use as a medicament of diagnostic and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-13 US disclosed