SCHEMBL5616341

SCHEMBL5616341

CCOC(=O)c1nnc(-c2ccccc2)nc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.68
▸ NPSR1 Q6W5P4 6/20 0.68
▸ ALDH1A1 P00352 5/20 0.68
▸ LMNA P02545 3/20 0.65
▸ MEN1 O00255 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ GAA P10253 2/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ HTT P42858 1/20 0.59
▸ GPR55 Q9Y2T6 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ MAPK1 P28482 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ CYP19A1 P11511 1/20 0.50
▸ ATM Q13315 1/20 0.50

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
SCHEMBL10972822 0.86 NPSR1 (0.65) MAPTNPSR1ALDH1A1LMNAMEN1
SCHEMBL10974451 0.84 NPSR1 (0.64) MAPTNPSR1ALDH1A1LMNAMEN1
SCHEMBL22573447 0.83 HSD17B10 (0.64) MAPTNPSR1ALDH1A1LMNAMEN1
SCHEMBL14640561 0.81 MAPT (1.00) MAPTNPSR1ALDH1A1LMNAMEN1
SCHEMBL5616320 0.80 MAPT (1.00) MAPTNPSR1ALDH1A1LMNAMEN1
SCHEMBL14640845 0.80 MAPT (0.84) MAPTNPSR1ALDH1A1LMNAMEN1
SCHEMBL14640765 0.80 MAPT (0.73) MAPTNPSR1ALDH1A1LMNAMEN1
SCHEMBL9590986 0.79 MAPT (0.45) MAPTNPSR1ALDH1A1LMNAMEN1
SCHEMBL5616408 0.78 MAPT (0.65) MAPTNPSR1ALDH1A1LMNAMEN1
SCHEMBL14640572 0.78 MAPT (0.78) MAPTNPSR1ALDH1A1LMNAMEN1

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
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