SCHEMBL6674155

SCHEMBL6674155

CC(C)c1nc2c(O)ncn(Cc3ccc(Cl)cc3)c-2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
SCD O00767 1/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HTT P42858 1/20 0.39
ACP1 P24666 1/20 0.37
BRD4 O60885 2/20 0.37
LMNA P02545 1/20 0.36
EP300 Q09472 1/20 0.36
CREBBP Q92793 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6674797 0.87 YTHDC1 (0.43) MAPK1SMN1; SMN2HTTACP1BRD4
SCHEMBL6675788 0.86 HSP90AA1 (0.43) SMN1; SMN2CYP11B1CYP11B2BRD4MEN1
SCHEMBL6155699 0.85 KCNH2 (0.42) KCNH2SCDMAPK1SMN1; SMN2CYP11B1
SCHEMBL6674149 0.81 QPCT (0.40) MAPK1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1387909 0.81 KCNH2 (0.39) KCNH2SCDMAPK1SMN1; SMN2CYP11B1
SCHEMBL6675454 0.80 ALOX15 (0.43) LMNAMEN1CYP1A2CYP3A4TSHR
SCHEMBL6673823 0.79 KDM4E (0.44) MAPK1SMN1; SMN2HTTLMNAMEN1
SCHEMBL6154053 0.78 YTHDC1 (0.41) KCNH2MAPK1BRD4EP300CREBBP
SCHEMBL7379810 0.77 KCNH2 (0.34) KCNH2SCDMAPK1SMN1; SMN2CYP11B1
SCHEMBL7384840 0.76 ADORA3 (0.40) KCNH2MEN1CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP claimed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 EP claimed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 EP claimed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO claimed
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP disclosed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 EP disclosed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO disclosed