SCHEMBL5596589

SCHEMBL5596589

OCCCNc1n[c]ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.39
KCNH3 Q9ULD8 4/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4D Q6B0I6 1/20 0.36
HPGD P15428 1/20 0.35
FYN P06241 1/20 0.34
AXL P30530 1/20 0.34
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
GAS6 Q14393 1/20 0.34
POLB P06746 1/20 0.33
RAD52 P43351 1/20 0.33
CYP1A2 P05177 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL5596734 0.89 ALDH1A1 (0.40) KCNH3ALDH1A1HPGDPOLBCDK1
SCHEMBL1751627 0.82 HRH4 (0.42) KCNH3ALDH1A1HPGDAXLFLT3
SCHEMBL5596514 0.82 ALDH1A1 (0.42) ALDH1A1HPGD
SCHEMBL5596632 0.81 DNM2 (0.42) POLBRAD52KDM4ENPC1RAB9A
SCHEMBL6027575 0.81 DNM2 (0.43) KCNH3ALDH1A1MERTKKDM4E
SCHEMBL5762029 0.79 ALDH1A1 (0.39) ALDH1A1HPGDRAD52
SCHEMBL5759625 0.79 ALDH1A1 (0.39) ALDH1A1HPGDRAD52
SCHEMBL5762178 0.79 ALDH1A1 (0.39) ALDH1A1HPGDRAD52
SCHEMBL5596425 0.78 CXCR4 (0.41) ALDH1A1HPGD
SCHEMBL5596716 0.78 ALDH1A1 (0.40) ALDH1A1HPGDFYNRAD52CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP claimed
EP-1418911-B1 2,4,5-TRISUBSTITUTED THIAZOLYL DERIVATIVES AND THEIR ANTIINFLAMMATORY ACTIVITY JANSSEN PHARMACEUTICA NV (BE) 2006-05-10 EP disclosed
EP-1418911-A1 2,4,5-TRISUBSTITUTED THIAZOLYL DERIVATIVES ANT THEIR ANTIINFLAMMATORY ACTIVITY JANSSEN PHARMACEUTICA N.V. (BE) 2004-05-19 EP disclosed
WO-2003015776-A1 2,4,5-TRISUBSTITUTED THIAZOLYL DERIVATIVES AND THEIR ANTIINFLAMMATORY ACTIVITY JANSSEN PHARMACEUTICA N.V. (BE) 2003-02-27 WO disclosed