SCHEMBL30986366

SCHEMBL30986366

CN(C)C(=O)COc1cc(N)c([N+](=O)[O-])cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPT P10636 6/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
STAT3 P40763 1/20 0.39
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL30986385 0.84 ALDH1A1 (0.42) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL16431683 0.83 MAPT (0.55) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL25321839 0.80 KDM4E (0.49) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL31078181 0.80 KDM4E (0.49) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL7951081 0.77 MAPT (0.55) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL1990199 0.77 MAPK1 (0.46) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL4268905 0.75 HTT (0.49) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL29502548 0.75 HTT (0.49) ALDH1A1MAPTKMT2AMEN1HTT
Hydrochloric Acid SCHEMBL8964835 0.74 HTT (0.47) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL3341055 0.74 MEN1 (0.46) ALDH1A1LMNASMN1; SMN2NPC1KMT2A

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-4642773-A1 NEW BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-11-05 EP disclosed
WO-2024141444-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-07-04 WO disclosed