SCHEMBL6679182

SCHEMBL6679182

CC(C)CCn1cnc(O)c2ncnc1-2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
KMT2A Q03164 1/20 0.37
RPS6KA3 P51812 2/20 0.34
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
CPB2 Q96IY4 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
POLB P06746 1/20 0.30
MDM4 O15151 1/20 0.30
TP53 P04637 1/20 0.30
MDM2 Q00987 1/20 0.30
HTT P42858 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
SCHEMBL6676177 0.82 ADORA2A (0.41) ALDH1A1TSHRLMNASMN1; SMN2ADORA2A
SCHEMBL6676134 0.81 RAB9A (0.37) RAB9AKMT2ARPS6KA3ALDH1A1TSHR
SCHEMBL6673899 0.79 ADORA2A (0.44) KMT2AALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL6673669 0.79 ADORA2A (0.41) RAB9AKMT2AALDH1A1TSHRNPC1
SCHEMBL6673124 0.78 ADORA2A (0.39) ALDH1A1SMN1; SMN2ADORA2AADORA1
SCHEMBL6673868 0.78 ALDH1A1 (0.42) RAB9AKMT2AALDH1A1TSHRNPC1
SCHEMBL6674163 0.77 SMN1; SMN2 (0.33) ALDH1A1TSHRLMNASMN1; SMN2ADORA2A
SCHEMBL6674435 0.72 ADORA2A (0.33) ADORA2AADORA1
SCHEMBL6675394 0.69 ADORA2A (0.46) ALDH1A1TSHRSMN1; SMN2ADORA2AHTT
SCHEMBL12620729 0.67 POLB (0.44) RAB9AKMT2AALDH1A1NPC1LMNA

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