SCHEMBL28044682

SCHEMBL28044682

CC(C)CN(c1ccccc1)S(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.47
BCL2L1 Q07817 6/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RORC P51449 2/20 0.44
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
CA2 P00918 1/20 0.40
HSD11B1 P28845 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
SCHEMBL4560531 0.83 CRY1 (0.54) MCL1BCL2L1MEN1KMT2ARORC
SCHEMBL15980998 0.80 MCL1 (0.63) MCL1BCL2L1MEN1KMT2ARORC
SCHEMBL3376825 0.79 ESR1 (0.54) KMT2AMAPTCA2
SCHEMBL27283527 0.77 ESR1 (0.53) KMT2AMAPTCA2
SCHEMBL27996134 0.76 TSHR (0.45) MEN1KMT2ACA2
Water SCHEMBL27995895 0.75 CA2 (0.44) KMT2ARORCCA2
SCHEMBL15981000 0.74 ESR1 (0.70) MCL1BCL2L1KMT2ARORC
SCHEMBL27701625 0.73 CA2 (0.62) MEN1KMT2ACA2
SCHEMBL7213233 0.73 ESR1 (0.59) MEN1KMT2ANPSR1
SCHEMBL7149676 0.73 ESR1 (0.39)

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
CN-102574883-B Organometallic complex, light-emitting element, display device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO.,LTD. (JP) 2015-11-25 CN disclosed