SCHEMBL14640845

SCHEMBL14640845

CCOC(=O)c1nnc(-c2ccccc2)nc1Oc1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.84
▸ NPSR1 Q6W5P4 6/20 0.74
▸ ALDH1A1 P00352 4/20 0.74
▸ HTT P42858 1/20 0.65
▸ CYP1A2 P05177 5/20 0.65
▸ CYP2C9 P11712 3/20 0.65
▸ CYP2C19 P33261 3/20 0.65
▸ L3MBTL1 Q9Y468 3/20 0.65
▸ POLB P06746 2/20 0.65
▸ GAA P10253 3/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ GPR55 Q9Y2T6 1/20 0.57
▸ LMNA P02545 3/20 0.57
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54

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
SCHEMBL14640576 0.93 MAPT (0.81) MAPTNPSR1ALDH1A1HTTCYP1A2
SCHEMBL5616352 0.92 MAPT (0.80) MAPTNPSR1ALDH1A1HTTCYP1A2
SCHEMBL5616320 0.92 MAPT (1.00) MAPTNPSR1ALDH1A1HTTCYP1A2
SCHEMBL14640578 0.91 MAPT (0.71) MAPTNPSR1ALDH1A1HTTCYP1A2
SCHEMBL14640577 0.90 MAPT (0.77) MAPTNPSR1ALDH1A1HTTCYP1A2
SCHEMBL14640850 0.89 MAPT (0.75) MAPTNPSR1ALDH1A1HTTCYP1A2
SCHEMBL14640633 0.89 MAPT (0.69) MAPTNPSR1ALDH1A1HTTCYP1A2
SCHEMBL14640572 0.89 MAPT (0.78) MAPTNPSR1ALDH1A1HTTCYP1A2
SCHEMBL14640522 0.86 MAPT (0.65) MAPTNPSR1ALDH1A1HTTCYP1A2
SCHEMBL14640557 0.86 MAPT (0.65) MAPTNPSR1ALDH1A1HTTCYP1A2

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-2007011721-A1 INHIBITORS OF MITOTIC KINESIN KALYPSYS, INC. (US) 2007-01-25 — — WO disclosed
Send feedback