SCHEMBL20002200

SCHEMBL20002200

C=C(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 2/20 0.51
PAX8 Q06710 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RORC P51449 1/20 0.47
ALDH1A1 P00352 5/20 0.46
TAS2R14 Q9NYV8 1/20 0.46
ACHE P22303 2/20 0.45
TP53 P04637 2/20 0.44
BCHE P06276 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
NOD2 Q9HC29 1/20 0.42

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
SCHEMBL22662761 0.83 RORC (0.47) KMT2AMEN1RORCEGFRERBB2
SCHEMBL16875146 0.83 RORC (0.47) RORC
SCHEMBL27962645 0.81 KMT2A (0.60) KMT2AMEN1PAX8GAAL3MBTL1
SCHEMBL28279324 0.80 RORC (0.48) KMT2APAX8RORC
SCHEMBL6932111 0.76 KMT2A (0.48) KMT2AMEN1PAX8GAAL3MBTL1
SCHEMBL28280482 0.75 RORC (0.42) KMT2AGAAL3MBTL1RORCALDH1A1
SCHEMBL16875198 0.74 RORC (0.44) RORCEGFR
SCHEMBL13811433 0.73 ACHE (0.62) KMT2AMEN1PAX8GAAL3MBTL1
SCHEMBL2576334 0.73 GAA (0.54) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL4792586 0.73 GAA (0.76) KMT2AMEN1PAX8GAAL3MBTL1

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-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed