SCHEMBL8388987

SCHEMBL8388987

CCCCCC(N)N[C@@]1(n2cnc3c(N)ncnc32)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT1 Q9H9B1 1/20 0.46
ADA P00813 4/20 0.43
PDE2A O00408 3/20 0.43
CYP3A4 P08684 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43
PI4KA P42356 2/20 0.42
PI4K2B Q8TCG2 2/20 0.42
PI4K2A Q9BTU6 2/20 0.42
PI4KB Q9UBF8 2/20 0.42

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
Phosphoric Acid SCHEMBL9549025 0.96 EHMT1 (0.43) EHMT1ADAPDE2ACYP3A4SMN1; SMN2
SCHEMBL7610242 0.84 EHMT1 (0.46) EHMT1SMN1; SMN2ALDH1A1PI4KAPI4K2B
SCHEMBL1900941 0.84 AHCY (0.46) EHMT1SMN1; SMN2PI4KAPI4K2BPI4K2A
SCHEMBL10441571 0.84 ADORA3 (0.50) SMN1; SMN2PI4KAPI4K2BPI4K2API4KB
SCHEMBL30532263 0.83 ADORA3 (0.46) SMN1; SMN2PI4KAPI4K2BPI4K2API4KB
SCHEMBL6569314 0.81 ADORA3 (0.52) SMN1; SMN2ALDH1A1HIF1API4KAPI4K2B
SCHEMBL939590 0.81 ADORA3 (0.54) SMN1; SMN2ALDH1A1HIF1API4KAPI4K2B
SCHEMBL4251184 0.78 NNMT (0.45) EHMT1SMN1; SMN2PI4KAPI4K2BPI4K2A
SCHEMBL10391603 0.78 NNMT (0.45) EHMT1SMN1; SMN2PI4KAPI4K2BPI4K2A
SCHEMBL11516446 0.78 PI4KA (0.47) SMN1; SMN2PI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5928862-A CONTACTING SAMPLE WITH LABELED POLYNUCLEOTIDE PROBES CAPABLE OF TWO POSTIONS, EITHER BOUND TO EACH OTHER WHERE LABELS CAN INTERACT OR ONE BOUND TO TARGET IN SAMPLE; MONITORING FOR SIGNAL INDICATIVE OF PRESENCE OF TARGET AMOCO CORPORATION (US) 1999-07-27 US disclosed
EP-0232967-B1 COMPETITIVE HOMOGENEOUS ASSAY AMOCO CORPORATION (US) 1993-04-28 EP disclosed
EP-0232967-A2 Competitive homogeneous Assay AMOCO CORPORATION (US) 1987-08-19 EP disclosed