SCHEMBL31349286

SCHEMBL31349286

O=C(OCc1ccccc1)N1CCN(Cc2ccc([N+](=O)[O-])o2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.53
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA7 P43166 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ PARP1 P09874 1/20 0.45
▸ PARP2 Q9UGN5 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MGLL Q99685 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ FAAH O00519 1/20 0.44

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
SCHEMBL13219626 0.82 POLB (0.65) POLBMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL31349303 0.82 POLB (0.56) POLBKMT2ANPSR1KDM4EALDH1A1
SCHEMBL31349260 0.81 KDM4E (0.56) POLBMEN1KMT2ANPSR1KDM4E
SCHEMBL31349325 0.81 POLB (0.58) POLBMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL13150237 0.79 MEN1 (0.51) POLBMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL31349287 0.79 POLB (0.56) POLBNPSR1CA1CA2CA7
SCHEMBL31349324 0.78 FAAH (0.58) POLBCA2CA9KDM4EFAAH
SCHEMBL31349278 0.76 POLB (0.57) POLBNPSR1KDM4EALDH1A1
SCHEMBL3970912 0.75 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4814264 0.75 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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
Send feedback