SCHEMBL31349240

SCHEMBL31349240

O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 1/20 0.61
▸ MAPT P10636 5/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ SLC2A1 P11166 4/20 0.53
▸ LMNA P02545 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ HTT P42858 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ NAMPT P43490 1/20 0.50
▸ CNR2 P34972 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
SCHEMBL31349207 0.84 SLC2A1 (0.59) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL31349209 0.82 MEN1 (0.64) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL31349205 0.80 SMN1; SMN2 (0.54) SLC6A9MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL31349242 0.77 SLC2A1 (0.52) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL31349203 0.76 SLC6A9 (0.61) SLC6A9MAPTKMT2AMEN1ALDH1A1
SCHEMBL3923118 0.76 SLC6A9 (1.00) SLC6A9SMN1; SMN2
SCHEMBL31349282 0.75 ALDH1A1 (0.52) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL1432330 0.75 SMN1; SMN2 (0.72) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL31349224 0.75 SLC2A1 (0.63) SLC6A9MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL1432512 0.74 KMT2A (0.72) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1

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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