SCHEMBL20569142

SCHEMBL20569142

CC(O)c1nccn1Cc1ccc([C@H]2C[C@@H](c3ccc(CO)cc3)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL20570402 1.00 TDP1 (0.40) TDP1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL20569145 1.00 TDP1 (0.40) TDP1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL20570018 0.82 TDP1 (0.37) TDP1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL20569972 0.80 KCNH2 (0.42) LMNA
SCHEMBL20570489 0.76 TDP1 (0.47) TDP1CYP1A2CYP2D6CYP2C19LMNA
Iodide SCHEMBL29037976 0.74 TDP1 (0.61) TDP1CYP1A2CYP2D6CYP2C19LMNA
Hydrochloric Acid SCHEMBL28192676 0.74 TDP1 (0.61) TDP1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL8359430 0.74 CYP19A1 (0.47) LMNA
SCHEMBL20570326 0.71 LMNA (0.52) TDP1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL20570065 0.69 CYP1A2 (0.48) TDP1CYP1A2CYP2D6CYP2C19LMNA

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
WO-2018216822-A1 NOVEL IMIDAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-29 WO disclosed