SCHEMBL30912466

SCHEMBL30912466

O=[N+]([O-])c1ccc(N2CCN3CCC2C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SIRT6 Q8N6T7 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ADRB1 P08588 1/20 0.43
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL30912534 1.00 POLB (0.46) POLBMAPTMEN1KMT2ASIRT6
SCHEMBL30912409 1.00 POLB (0.46) POLBMAPTMEN1KMT2ASIRT6
SCHEMBL2537629 0.91 POLB (0.49) POLBMAPTMEN1KMT2ASIRT6
Fluoride SCHEMBL2534999 0.89 POLB (0.47) POLBMAPTMEN1KMT2ASIRT6
SCHEMBL3246831 0.77 CA2 (0.52) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL1782288 0.77 MAPT (0.38) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL3240619 0.76 MAPT (0.60) POLBMAPTMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL3264480 0.76 CA2 (0.51) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL22805646 0.76 CHRNA7 (0.44)
SCHEMBL30912556 0.76 ALDH1A1 (0.39) POLBMAPTMEN1KMT2AALDH1A1

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-4619406-A1 TRICYCLIC COMPOUNDS Schrödinger, Inc. (US) 2025-09-24 EP disclosed
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed