SCHEMBL14640765

SCHEMBL14640765

CCOC(=O)c1nnc(-c2ccccc2)nc1Sc1ccc(Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.73
▸ NPSR1 Q6W5P4 7/20 0.73
▸ LMNA P02545 2/20 0.73
▸ ALOX12 P18054 1/20 0.68
▸ ALDH1A1 P00352 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ CYP1A2 P05177 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ HTT P42858 2/20 0.52
▸ XBP1 P17861 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ GPR55 Q9Y2T6 1/20 0.49
▸ POLB P06746 1/20 0.47

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
SCHEMBL14640562 0.85 ALOX12 (0.61) MAPTNPSR1LMNAALOX12ALDH1A1
SCHEMBL14640658 0.80 ALOX12 (0.59) MAPTNPSR1LMNAALOX12ALDH1A1
SCHEMBL5616341 0.80 MAPT (0.68) MAPTNPSR1LMNAALOX12ALDH1A1
SCHEMBL5616320 0.79 MAPT (1.00) MAPTNPSR1LMNAALDH1A1MEN1
SCHEMBL14640660 0.79 ALOX12 (0.77) MAPTNPSR1LMNAALOX12ALDH1A1
SCHEMBL13791557 0.78 MAPT (0.74) MAPTNPSR1LMNAALOX12ALDH1A1
SCHEMBL10972822 0.77 NPSR1 (0.65) MAPTNPSR1LMNAALDH1A1MEN1
SCHEMBL10974451 0.76 NPSR1 (0.64) MAPTNPSR1LMNAALDH1A1MEN1
SCHEMBL22573447 0.74 HSD17B10 (0.64) MAPTNPSR1LMNAALDH1A1MEN1
SCHEMBL14640561 0.73 MAPT (1.00) MAPTNPSR1LMNAALOX12ALDH1A1

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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