SCHEMBL12334602

SCHEMBL12334602

O=C(NCc1ccc(S(=O)(=O)Nc2ccc(I)cc2)s1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.52
ITGA1 P56199 2/20 0.50
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
LOX P28300 1/20 0.43
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PRMT1 Q99873 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL12334072 0.89 CCKBR (0.60) CCKBRKMT2AMEN1PKMHPGD
SCHEMBL12334073 0.87 CCKBR (0.49) CCKBRKMT2AMEN1PKMHPGD
SCHEMBL12334053 0.85 NR1H3 (0.54) CCKBRKMT2AMEN1PKMHPGD
SCHEMBL12334668 0.83 CCKBR (0.46) CCKBRKMT2AMEN1PKMHPGD
SCHEMBL9997173 0.82 CCKBR (0.54) CCKBRKMT2AMEN1PKMHPGD
SCHEMBL8013271 0.80 CCKBR (0.49) CCKBRKMT2AMEN1HPGDMAPT
SCHEMBL7460244 0.80 CCKBR (0.50) CCKBRKMT2AMEN1HPGDMAPT
SCHEMBL8033818 0.79 HPGD (0.54) CCKBRKMT2AMEN1HPGDMAPT
SCHEMBL15079960 0.79 CCKBR (0.51) CCKBRKMT2AMEN1PKMMAPT
SCHEMBL7451657 0.79 MEN1 (0.51) CCKBRKMT2AMEN1PKMHPGD

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-2011115892-A1 MODULATORS OF THE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTORS GRIFFIN PATRICK R (US) 2011-09-22 WO disclosed