SCHEMBL8175159

SCHEMBL8175159

CCn1ncc(C(=O)c2ccc(S(C)(=O)=O)c(OC3COC3)c2Cl)c1O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.30
SCN9A Q15858 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
SCHEMBL8168140 0.91 SMN1; SMN2 (0.32) RAB9ASMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL8176400 0.87 KAT2B (0.30)
SCHEMBL7811558 0.84 KMT2A (0.30) KMT2A
SCHEMBL7962639 0.81 SMN1; SMN2 (0.39) RAB9ASMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL8168638 0.81 RORC (0.33) RAB9ASMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL8177083 0.81 RORC (0.33) RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL1738355 0.80 SMN1; SMN2 (0.36) RAB9ASMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL9448454 0.80 SMN1; SMN2 (0.40) RAB9ASMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL8168637 0.79 GNRHR (0.35) RAB9ASMN1; SMN2
SCHEMBL9076318 0.79 SMN1; SMN2 (0.37) RAB9ASMN1; SMN2ALDH1A1HTTMEN1

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
US-6140271-A 1-ETHYL-4-(2-METHYL-3-(3-OXETANYLOXY)-4-METHYLSULFONYLBENZOYL) -5-HYDROXYPYRAZOLE, FOR EXAMPLE AND BENZOIC ACID CHEMICAL INTERMEDIATES; POSTEMERGENCE HERBICIDES DOW AGROSCIENCES LLC (US) 2000-10-31 US claimed
US-6140271-A 1-ETHYL-4-(2-METHYL-3-(3-OXETANYLOXY)-4-METHYLSULFONYLBENZOYL) -5-HYDROXYPYRAZOLE, FOR EXAMPLE AND BENZOIC ACID CHEMICAL INTERMEDIATES; POSTEMERGENCE HERBICIDES DOW AGROSCIENCES LLC (US) 2000-10-31 US disclosed