SCHEMBL5596570

SCHEMBL5596570

COCCNc1n[c]ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LDHA P00338 1/20 0.36
HCAR3 P49019 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
UTS2R Q9UKP6 2/20 0.35
CYP1A2 P05177 2/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.34
GPR39 O43194 1/20 0.34
CYP3A4 P08684 1/20 0.33
DYRK3 O43781 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
SCHEMBL5596716 0.81 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAHTTCYP1A2
SCHEMBL8174665 0.79 ALDH1A1 (0.62) KCNH3MKNK1MKNK2ALDH1A1KDM4E
SCHEMBL1751627 0.79 HRH4 (0.42) KCNH3ALDH1A1UTS2R
SCHEMBL5596425 0.78 CXCR4 (0.41) ALDH1A1
SCHEMBL6027575 0.77 DNM2 (0.43) KCNH3ALDH1A1KDM4ESMN1; SMN2HCAR3
SCHEMBL5596454 0.77 CYP2C19 (0.44) MKNK1MKNK2ALDH1A1CYP2C19
SCHEMBL1119528 0.77
SCHEMBL5596514 0.75 ALDH1A1 (0.42) ALDH1A1
SCHEMBL5596589 0.75 NUDT1 (0.39) KCNH3ALDH1A1KDM4EHTTCYP1A2
SCHEMBL5832242 0.73 ESR1 (0.43) SMN1; SMN2HCAR3

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-1240164-B1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS (AN) 2003-11-12 EP disclosed
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP disclosed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO disclosed