SCHEMBL6676134

SCHEMBL6676134

CC(C)CCn1cnc(S)c2ncnc1-2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.33
ALDH1A1 P00352 4/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.31
MDM4 O15151 1/20 0.30
TP53 P04637 1/20 0.30
MDM2 Q00987 1/20 0.30
RPS6KA3 P51812 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
SCHEMBL6679182 0.81 RAB9A (0.37) RAB9AKMT2APOLBALDH1A1TSHR
SCHEMBL6672679 0.79 LMNA (0.46) RAB9AKMT2APOLBALDH1A1TSHR
SCHEMBL6673801 0.78 ADORA2A (0.39) ALDH1A1LMNASMN1; SMN2
SCHEMBL6675408 0.78 LMNA (0.42) RAB9AKMT2APOLBALDH1A1TSHR
SCHEMBL6675467 0.77 SMN1; SMN2 (0.33) POLBALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL6672660 0.77 LMNA (0.41) RAB9AKMT2APOLBALDH1A1TSHR
SCHEMBL12620729 0.67 POLB (0.44) RAB9AKMT2APOLBALDH1A1NPC1
SCHEMBL14733932 0.65 POLB (0.71) RAB9AKMT2APOLBALDH1A1NPC1
SCHEMBL19841 0.62 ADORA2A (0.69) RAB9AKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL11381751 0.62 HTT (0.31) RAB9AKMT2AALDH1A1TSHRKDM4E

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-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