SCHEMBL6900642

SCHEMBL6900642

CC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.75
DNPH1 O43598 9/20 0.71
TAS1R3 Q7RTX0 3/20 0.71
TAS1R1 Q7RTX1 3/20 0.71
ADORA1 P30542 3/20 0.69
P2RY2 P41231 2/20 0.69
P2RY1 P47900 2/20 0.69
PRKAB2 O43741 1/20 0.69
TRPM2 O94759 1/20 0.69
LDHA P00338 1/20 0.69
ADRB2 P07550 1/20 0.69
FBP1 P09467 1/20 0.69
SRC P12931 1/20 0.69
PRKAG1 P54619 1/20 0.69
PRKAA2 P54646 1/20 0.69
PDE4D Q08499 1/20 0.69
KCNH2 Q12809 1/20 0.69
PRKAA1 Q13131 1/20 0.69
PDE3A Q14432 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69

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
SCHEMBL31685720 1.00 P2RY12 (0.75) P2RY12DNPH1TAS1R3TAS1R1ADORA1
SCHEMBL29799399 0.92 P2RY1 (0.75) P2RY12P2RY2P2RY1TRPM2SRC
SCHEMBL30004415 0.89 DNPH1 (0.75) P2RY12DNPH1TAS1R3TAS1R1ADORA1
SCHEMBL26067680 0.89 DNPH1 (0.75) P2RY12DNPH1TAS1R3TAS1R1ADORA1
SCHEMBL4307198 0.89 DNPH1 (0.75) P2RY12DNPH1TAS1R3TAS1R1ADORA1
SCHEMBL1021625 0.89 P2RY12 (0.71) P2RY12DNPH1TAS1R3TAS1R1ADORA1
SCHEMBL18274661 0.89 P2RY12 (0.71) P2RY12DNPH1TAS1R3TAS1R1ADORA1
SCHEMBL2780497 0.89 P2RY12 (0.73) P2RY12DNPH1TAS1R3TAS1R1ADORA1
SCHEMBL8780682 0.89 DNPH1 (0.77) P2RY12DNPH1TAS1R3TAS1R1ADORA1
SCHEMBL14358309 0.89 DNPH1 (0.74) P2RY12DNPH1TAS1R3TAS1R1ADORA1

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
US-6808716-B2 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2004-10-26 US claimed
WO-2004089329-A2 TOPICAL COMPOSITIONS COMPRISING N-ACETYLAMINO ACIDS OR RELATED N-ACETYL COMPOUNDS YU RUEY J (US) 2004-10-21 WO claimed
US-20030198656-A1 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2003-10-23 US claimed
CN-108138187-B Method for increasing replication of circular DNA molecules 库瑞瓦格房地产有限公司 2022-07-19 CN disclosed
US-6808716-B2 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2004-10-26 US disclosed
WO-2004089329-A2 TOPICAL COMPOSITIONS COMPRISING N-ACETYLAMINO ACIDS OR RELATED N-ACETYL COMPOUNDS YU RUEY J (US) 2004-10-21 WO disclosed
US-20030229141-A1 N-acetyl cysteine and its topical use YU RUEY J (US) 2003-12-11 US disclosed
US-20030198656-A1 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2003-10-23 US disclosed