SCHEMBL31349264

SCHEMBL31349264

O=[N+]([O-])c1ccc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)o1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.51
▸ ADRB1 P08588 1/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ SLC6A7 Q99884 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CHRM4 P08173 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
SCHEMBL31349299 0.82 POLB (0.54) POLB
SCHEMBL31349222 0.82 POLB (0.54) POLBKMT2AMEN1
SCHEMBL31349214 0.79 POLB (0.51) POLB
SCHEMBL31349204 0.78 PKM (0.55) POLBADRB1PKMSLC6A7CA12
SCHEMBL31349261 0.76 SMN1; SMN2 (0.53) POLBKMT2AKDM4EMEN1
SCHEMBL31349219 0.76 POLB (0.57) POLB
SCHEMBL31349227 0.75 POLB (0.56) POLBKMT2AKDM4EMEN1
SCHEMBL8354208 0.74 ADRB1 (0.78) ADRB1KMT2AKDM4EPKMSLC6A7
SCHEMBL31349245 0.72 POLB (0.55) POLBKMT2AKDM4EMEN1
SCHEMBL31349236 0.72 POLB (0.53) POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743446-A1 NITRO-CONTAINING COMPOUNDS THAT KILL MYCOBACTERIA Board of Trustees of Michigan State University (US) 2026-05-20 — — EP disclosed
WO-2025015066-A1 NITRO-CONTAINING COMPOUNDS THAT KILL MYCOBACTERIA BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2025-01-16 — — WO disclosed
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