SCHEMBL31349324

SCHEMBL31349324

O=C(Nc1ccccc1)N1CCN(Cc2ccc([N+](=O)[O-])o2)CC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 14/20 0.58
▸ KDM4E B2RXH2 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ TSHR P16473 1/20 0.53
▸ CA12 O43570 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51

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
SCHEMBL31349260 0.85 KDM4E (0.56) FAAHKDM4EPOLB
SCHEMBL31349325 0.82 POLB (0.58) KDM4EMAPTPOLBTSHRCA12
SCHEMBL13219626 0.79 POLB (0.65) KDM4EMAPTPOLB
SCHEMBL31349303 0.79 POLB (0.56) KDM4EMAPTPOLB
SCHEMBL31349286 0.78 POLB (0.53) FAAHKDM4EPOLBCA2CA9
SCHEMBL31349278 0.77 POLB (0.57) KDM4EMAPTPOLB
SCHEMBL13219627 0.77 POLB (0.70) KDM4EMAPTPOLB
SCHEMBL31349220 0.76 POLB (0.56) KDM4EMAPTPOLB
SCHEMBL3596348 0.75 FAAH (1.00) FAAHKDM4EMAPTTSHRCA12
SCHEMBL3599466 0.74 CA2 (0.73) FAAHKDM4EMAPTCA2CA9

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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