SCHEMBL7222807

SCHEMBL7222807

CCCOc1ccc2c(n1)[S+]([O-])c1ccc(C)c(C)c1N2CCCNCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.36
LMNA P02545 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NMT2 O60551 3/20 0.32
NMT1 P30419 3/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32

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 0.93 SCN8A (0.35) SCN8ALMNAKDM4EMEN1KMT2A
SCHEMBL7229042 0.79 KDM4E (0.35) SCN8AKDM4EALDH1A1GAAHPGD
SCHEMBL6746830 0.79 ACHE (0.39) SCN8AMEN1KMT2AACHE
SCHEMBL6748820 0.73 DPP7 (0.36) SCN8ALMNAKDM4EMEN1KMT2A
SCHEMBL7223365 0.68 P2RX7 (0.38) MEN1KMT2AMAPTTSHRSMN1; SMN2
SCHEMBL7220663 0.67 OPRM1 (0.35) MEN1KMT2ADRD2DRD3
SCHEMBL6749822 0.65 KDM1A (0.49) SCN8ALMNAKDM4EALDH1A1MAPT
SCHEMBL6749836 0.64 ACHE (0.44) SCN8AACHE
SCHEMBL7222760 0.63 KDM4E (0.36) SCN8AKDM4EALDH1A1GAAHPGD
SCHEMBL6744792 0.63 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