SCHEMBL3467933

SCHEMBL3467933

O=S(=O)(c1nnc(Cc2cccc(OC(F)F)c2)s1)c1c(Cl)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
GLS O94925 3/20 0.38
MEP1B Q16820 1/20 0.38
DAO P14920 2/20 0.37
CFTR P13569 1/20 0.36
DAGLA Q9Y4D2 2/20 0.36
NPSR1 Q6W5P4 3/20 0.36
P2RX7 Q99572 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
SCN1A P35498 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 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
SCHEMBL3467495 0.74 ALDH1A1 (0.49) GLSSCN1ASCN8AMEN1MAPT
SCHEMBL3467354 0.73 ALDH1A1 (0.61) SCN1ASCN8AMEN1MAPTKMT2A
SCHEMBL17610198 0.64 MEN1 (0.42) NPSR1MEN1MAPTKMT2ARAB9A
SCHEMBL10913301 0.63 MEP1B (0.50) KCNJ5KCNJ3MEP1BDAONPSR1
SCHEMBL1776057 0.63 MEP1B (0.54) KCNJ5KCNJ3MEP1BDAONPSR1
SCHEMBL1776056 0.63 MEP1B (0.54) KCNJ5KCNJ3MEP1BDAONPSR1
SCHEMBL2376734 0.63 MEP1B (0.48) KCNJ5KCNJ3MEP1BDAONPSR1
SCHEMBL2376739 0.63 MEP1B (0.48) MEP1BDAOMRGPRX4
SCHEMBL15042279 0.62 MEP1B (0.54) MEP1BDAOMRGPRX4
SCHEMBL14378247 0.62 MEP1B (0.47) MEP1BDAOROCK2KMT2AMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO claimed
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO disclosed