SCHEMBL7229042

SCHEMBL7229042

CCOc1nc2c(cc1C#N)N(CCCNCc1ccccc1)c1c(ccc(C)c1C)[S+]2[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 1/20 0.34
NSD2 O96028 2/20 0.33
SCN8A Q9UQD0 3/20 0.33
RPS27 P42677 2/20 0.33
MAPK8 P45983 2/20 0.33
MAPK9 P45984 2/20 0.33
MAPK10 P53779 2/20 0.33
RXFP1 Q9HBX9 2/20 0.31
HPGD P15428 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.30
NMT2 O60551 1/20 0.30

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
SCHEMBL7227853 0.83 SCN8A (0.35) KDM4ESCN8ASMN1; SMN2NMT2NMT1
SCHEMBL7222760 0.82 KDM4E (0.36) KDM4EALDH1A1GAAMAPK1L3MBTL1
SCHEMBL7222807 0.79 SCN8A (0.36) KDM4EALDH1A1GAAL3MBTL1SCN8A
SCHEMBL6746830 0.76 ACHE (0.39) SCN8A
SCHEMBL6748820 0.70 DPP7 (0.36) KDM4EGAASCN8ASMN1; SMN2
SCHEMBL7223365 0.66 P2RX7 (0.38) RXFP1NPSR1SMN1; SMN2HTT
SCHEMBL7220663 0.63 OPRM1 (0.35)
SCHEMBL6749822 0.63 KDM1A (0.49) KDM4EALDH1A1SCN8ANPSR1SMN1; SMN2
SCHEMBL6749836 0.62 ACHE (0.44) SCN8A
SCHEMBL6744792 0.61 TK1 (0.40)

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 claimed
EP-1057830-A1 HETEROCYCLE-FUSED BENZOTHIAZINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-12-06 EP claimed