SCHEMBL28062044

SCHEMBL28062044

O=S(=O)(On1ccnc1-c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HTR6 P50406 5/20 0.38
BCHE P06276 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.35
PGR P06401 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ESR1 P03372 1/20 0.35
ACLY P53396 1/20 0.34
P2RX4 Q99571 1/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL28062022 0.79 PARL (0.42) CA1CA2CA9MEN1KMT2A
SCHEMBL28062052 0.70 CA1 (0.42) CA1CA2CA9HTR6MEN1
SCHEMBL2895865 0.70 KDM4E (0.46) CA1CA2CA9HTR6MEN1
SCHEMBL28062054 0.69 HTR6 (0.41) CA1CA2CA9HTR6MEN1
SCHEMBL28111917 0.69 ESR1 (0.45) KMT2AESR1MAPT
SCHEMBL28062013 0.68 HTR6 (0.42) CA1CA2CA9HTR6MEN1
SCHEMBL28062025 0.68 KMT2A (0.39) CA1CA2CA9HTR6MEN1
SCHEMBL6662437 0.67 CA1 (0.57) CA1CA2CA9HTR6MEN1
SCHEMBL31286100 0.67 CA1 (0.61) CA1CA2CA9HTR6MEN1
SCHEMBL2323729 0.67 CA1 (0.61) CA1CA2CA9HTR6MEN1

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-105531298-A Monomer liquid for production of conductive polymer and method for manufacturing electrolytic capacitor using same TAYCA CORP 2016-04-27 CN disclosed