SCHEMBL377360

SCHEMBL377360

Cc1ccc(S(=O)(=O)O)c(C)c1.N=C=NCCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 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
SCHEMBL9846522 0.85 ALDH1A1 (0.45) ALDH1A1KMT2AL3MBTL1POLBMEN1
SCHEMBL335422 0.82 CYP1A2 (0.59) ALDH1A1CYP3A4KMT2AMAPTHTT
SCHEMBL31278334 0.82 CYP1A2 (0.59) ALDH1A1CYP3A4KMT2AMAPTHTT
SCHEMBL15153786 0.78 CYP1A2 (0.42) ALDH1A1L3MBTL1KDM4EMAPK1
SCHEMBL377361 0.76 RORC (0.40) ALDH1A1KMT2AMAPTHTTMEN1
SCHEMBL30761550 0.76 ALDH1A1 (0.41) ALDH1A1KMT2APOLBMEN1LMNA
SCHEMBL10903260 0.75 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTPOLBLMNA
SCHEMBL10901026 0.75 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTPOLBLMNA
SCHEMBL9436866 0.74 CYP1A2 (0.59) ALDH1A1CYP3A4KMT2AMAPTHTT
SCHEMBL2658154 0.72 CYP1A2 (0.51) ALDH1A1POLBKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408861-A1 CELLULOSE MATERIALS WITH NOVEL PROPERTIES Fpinnovations (CA) 2012-01-25 EP disclosed
WO-1990002205-A1 DETECTION OF NUCLEIC ACID SEQUENCES USING PARTICLE AGGLUTINATION ANGENICS, INC. (US) 1990-03-08 WO disclosed
EP-0114615-A2 Alkaline phosphatase labeled steroid hormone glucoronides ABBOTT LABORATORIES (US) 1984-08-01 EP disclosed