SCHEMBL5307308

SCHEMBL5307308

O[C@H](CNCc1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 19/20 0.73

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
SCHEMBL4896218 1.00 DNM1 (0.73) DNM1
SCHEMBL21887619 0.88 LMNA (0.60) DNM1
SCHEMBL410770 0.84 DNM1 (1.00) DNM1
SCHEMBL410011 0.82 DNM1 (0.72) DNM1
SCHEMBL28590221 0.79 ALDH1A1 (0.58) DNM1
SCHEMBL16604024 0.79 RAD52 (0.74) DNM1
SCHEMBL28604202 0.77 ALDH1A1 (0.56) DNM1
SCHEMBL28583934 0.77 ALDH1A1 (0.56) DNM1
SCHEMBL21093338 0.77 ALDH1A1 (0.56) DNM1
SCHEMBL30645234 0.77 ALDH1A1 (0.56) DNM1

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
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed