SCHEMBL22609573

SCHEMBL22609573

CS(=O)(=O)OC(c1ccc(-n2cc([N+](=O)[O-])c(C(N)=O)n2)cc1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.36
CA1 P00915 8/20 0.36
CA2 P00918 8/20 0.36
CA9 Q16790 8/20 0.36
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ESRRA P11474 1/20 0.33
MCL1 Q07820 1/20 0.33
MEN1 O00255 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL21069544 0.81 CA12 (0.36) CA12CA1CA2CA9MAPT
SCHEMBL21070614 0.81 JAK2 (0.36) CA12CA1CA2CA9MAPT
SCHEMBL21069818 0.81 MPO (0.39) CA12CA1CA2CA9MAPT
SCHEMBL21069514 0.75 MAPT (0.34) CA12CA1CA2CA9MAPT
SCHEMBL166627 0.75 CA1 (0.45) CA12CA1CA2CA9MAPT
SCHEMBL21071128 0.73 KDM4E (0.46) CA12CA1CA2CA9MAPT
SCHEMBL21069540 0.72 CA9 (0.45) CA12CA1CA2CA9MAPT
SCHEMBL21069726 0.70 MAPT (0.41) CA12CA1CA2CA9MAPT
SCHEMBL21070338 0.69 MCL1 (0.44) CA12CA1CA2CA9MAPT
SCHEMBL12800113 0.67 SMN1; SMN2 (0.51) MAPTSMN1; SMN2KDM4EMEN1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4613773-A2 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2025-09-10 EP disclosed
EP-3731869-B1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2025-07-23 EP disclosed
EP-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 EP disclosed