SCHEMBL7222760

SCHEMBL7222760

CCOc1nc2c(cc1C#N)N(CCCNCc1ccccc1)c1c(ccc(C)c1C)S2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 1/20 0.35
NSD2 O96028 2/20 0.34
SCN8A Q9UQD0 3/20 0.33
RPS27 P42677 2/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
HPGD P15428 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.31
NMT2 O60551 1/20 0.31

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
SCHEMBL7229042 0.82 KDM4E (0.35) KDM4EALDH1A1GAAMAPK1L3MBTL1
SCHEMBL6749822 0.75 KDM1A (0.49) KDM4EALDH1A1SCN8ANPSR1SMN1; SMN2
SCHEMBL7227853 0.68 SCN8A (0.35) KDM4ESCN8ASMN1; SMN2NMT2NMT1
SCHEMBL7227362 0.66 MAPT (0.35) KDM4EALDH1A1GAAL3MBTL1RXFP1
SCHEMBL7222807 0.63 SCN8A (0.36) KDM4EALDH1A1GAAL3MBTL1SCN8A
SCHEMBL6749836 0.63 ACHE (0.44) SCN8A
SCHEMBL6746830 0.62 ACHE (0.39) SCN8A
SCHEMBL6749814 0.58 KDM1A (0.47) KDM4EALDH1A1NPSR1SMN1; SMN2
SCHEMBL21467524 0.57 LMNA (0.60) KDM4EALDH1A1GAAMAPK1SCN8A
SCHEMBL6744931 0.57 CYP2D6 (0.48) KDM4EALDH1A1GAAMAPK1SCN8A

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-6583138-B1 Mediators or antagonists of the effects of histamine, leukotriene and the like; heterocyclic ring condensed benzothiazine compounds; inhibit the activation of the tyrosine kinase of 72 kDa EISAI CO., LTD. (JP) 2003-06-24 US disclosed
EP-1057830-A1 HETEROCYCLE-FUSED BENZOTHIAZINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-12-06 EP disclosed