SCHEMBL31349205

SCHEMBL31349205

O=[N+]([O-])c1ccc(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)o1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TSHR P16473 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MAPT P10636 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ GRM2 Q14416 2/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ POLB P06746 3/20 0.49
▸ SLC6A9 P48067 1/20 0.49

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
SCHEMBL31349222 0.83 POLB (0.54) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL31349261 0.82 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL31349240 0.80 SLC6A9 (0.61) SMN1; SMN2ALDH1A1LMNAHTTMEN1
SCHEMBL31349227 0.79 POLB (0.56) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL31349219 0.78 POLB (0.57) POLB
SCHEMBL31349306 0.77 POLB (0.51) LMNAMAPTPOLB
SCHEMBL31349245 0.76 POLB (0.55) SMN1; SMN2ALDH1A1LMNAHTTMEN1
SCHEMBL31349298 0.76 POLB (0.57) SMN1; SMN2ALDH1A1LMNAHTTMEN1
SCHEMBL31349291 0.76 POLB (0.57) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL31349251 0.74 POLB (0.60) LMNAMAPTPOLB

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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