SCHEMBL20002381

SCHEMBL20002381

O=C(C1CCCCC1)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
HSD11B1 P28845 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RORC P51449 4/20 0.46
NR1I2 O75469 1/20 0.46
EPHX2 P34913 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL20002434 1.00 L3MBTL1 (0.56) L3MBTL1HSD11B1MAPTKMT2AALDH1A1
SCHEMBL20002498 0.89 RORC (0.49) L3MBTL1MAPTRORCEPHX2
SCHEMBL20002251 0.88 RORC (0.52) L3MBTL1ALDH1A1RORCNR1I2
SCHEMBL20002743 0.88 L3MBTL1 (0.48) L3MBTL1MAPTALDH1A1RORCNR1I2
SCHEMBL20002731 0.88 L3MBTL1 (0.48) L3MBTL1ALDH1A1RORCNR1I2EPHX2
SCHEMBL20003057 0.88 RORC (0.50) L3MBTL1MAPTALDH1A1RORCEPHX2
SCHEMBL20002254 0.88 L3MBTL1 (0.48) L3MBTL1ALDH1A1RORCNR1I2EPHX2
SCHEMBL20002920 0.87 ALDH1A1 (0.46) L3MBTL1ALDH1A1NPSR1
SCHEMBL20002684 0.86 L3MBTL1 (0.47) L3MBTL1MAPTALDH1A1RORCNR1I2
SCHEMBL20002488 0.85 RORC (0.47) L3MBTL1MAPTKMT2AALDH1A1RORC

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