SCHEMBL377361

SCHEMBL377361

CCc1ccc(S(=O)(=O)O)cc1.N=C=NCCN1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.40
IL17A Q16552 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
THRB P10828 1/20 0.39
PABPC1 P11940 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
FKBP1A P62942 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 0.88 ALDH1A1 (0.45) MEN1KMT2AALDH1A1MAPK1KDM4E
SCHEMBL1162273 0.87 FKBP1A (0.41) THRBKMT2AALDH1A1MAPK1MAPT
SCHEMBL335423 0.81 CYP1A2 (0.63) RORCIL17ACRHBPCRHR2THRB
SCHEMBL15153786 0.81 CYP1A2 (0.42) ALDH1A1MAPK1KDM4E
SCHEMBL28548865 0.80 CA12 (0.36) RORCIL17ACRHBPCRHR2THRB
SCHEMBL377360 0.76 ALDH1A1 (0.45) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL30761550 0.76 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPK1KDM4E
SCHEMBL2658154 0.75 CYP1A2 (0.51) ALDH1A1MAPK1KDM4ECA12CA1
SCHEMBL7072020 0.71 CYP1A2 (0.59) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL12509426 0.70 PKM (0.67) CRHBPCRHR2KMT2AALDH1A1MAPK1

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
EP-2408861-A1 CELLULOSE MATERIALS WITH NOVEL PROPERTIES Fpinnovations (CA) 2012-01-25 EP disclosed