SCHEMBL19971450

SCHEMBL19971450

NC(=O)OCCc1cn(S(=O)(=O)c2cccnc2)c2cc(Oc3cc(Cl)ccc3[N+](=O)[O-])ccc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
HTR6 P50406 7/20 0.35
BCL2 P10415 4/20 0.35
MCL1 Q07820 4/20 0.35
IDE P14735 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
BCL2L1 Q07817 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
F10 P00742 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL19971347 0.85 POLB (0.37) POLBHTR6BCL2MCL1IDE
SCHEMBL16626641 0.84 POLB (0.38) POLBHTR6BCL2MCL1MAPT
SCHEMBL16619019 0.84 HTR6 (0.39) POLBHTR6BCL2MCL1BCL2L1
SCHEMBL16619016 0.84 HTR6 (0.39) POLBHTR6BCL2MCL1BCL2L1
Hydrochloric Acid SCHEMBL16618961 0.84 POLB (0.38) POLBHTR6BCL2MCL1MAPT
SCHEMBL16626642 0.81 HTR6 (0.35) POLBHTR6BCL2MCL1BCL2L1
SCHEMBL19971345 0.78 IDE (0.43) HTR6IDE
SCHEMBL28207563 0.76 IDE (0.42) HTR6IDE
SCHEMBL28857516 0.76 IDE (0.41) HTR6IDE
SCHEMBL16626787 0.75 HTR6 (0.40) HTR6IDEMAPTLMNARAB9A

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-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed