SCHEMBL6844919

SCHEMBL6844919

COC(=O)c1c(CS(=O)(=O)c2ccccc2)ccc(C2C=COC2)c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.34
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BCHE P06276 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
RORC P51449 1/20 0.30
CNR1 P21554 1/20 0.30
LMNA P02545 1/20 0.30
CYP2D6 P10635 1/20 0.30
ELANE P08246 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
SCHEMBL6844879 0.85 POLB (0.36) POLBKMT2AALDH1A1L3MBTL1MAPT
SCHEMBL1648201 0.81 POLB (0.38) POLBKMT2AALDH1A1L3MBTL1MAPT
SCHEMBL6844927 0.81 TARBP2 (0.32) ALDH1A1L3MBTL1MAPT
SCHEMBL6844872 0.80 CA1 (0.36) POLBALDH1A1
SCHEMBL6844920 0.78 ELANE (0.34) POLBKMT2AALDH1A1HPGDMAPT
SCHEMBL6844858 0.78 TSHR (0.34) POLBKMT2AALDH1A1LMNACYP2D6
SCHEMBL6844881 0.76 CA1 (0.38) ALDH1A1HPGDMAPTRORCELANE
SCHEMBL1648283 0.75 METAP2 (0.41) POLBKMT2AMAPTPKMRORC
SCHEMBL6844851 0.74 ALDH1A1 (0.32) POLBALDH1A1L3MBTL1
SCHEMBL6844867 0.74 TSHR (0.32)

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
WO-2011044506-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2011-04-14 WO disclosed