SCHEMBL14101727

SCHEMBL14101727

O=Nc1ccc(NCCCO)cc1-n1nc(-c2cc(Br)cc(-c3cnco3)c2)c2ccccc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL4721931 0.89 MAPT (0.36) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4720458 0.89 MAPT (0.36) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4722264 0.87 MAPT (0.47) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4721816 0.85 MAPT (0.38) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4722053 0.85 CTDSP1 (0.36) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4720984 0.85 ALDH1A1 (0.36) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4722028 0.83 MAPT (0.39) MAPTALDH1A1LMNAPOLB
SCHEMBL4720715 0.83 MAPT (0.46) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4723560 0.82 MAPT (0.39) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4723319 0.82 MAPT (0.39) MAPTMEN1KMT2AALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed