SCHEMBL10668441

SCHEMBL10668441

c1ncc2ncn(C34CC5CC(CC(C5)C3)C4)c2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.55
PI4K2B Q8TCG2 1/20 0.55
PI4K2A Q9BTU6 1/20 0.55
PI4KB Q9UBF8 1/20 0.55
HCAR1 Q9BXC0 1/20 0.46
FDPS P14324 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MKNK2 Q9HBH9 1/20 0.32
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL4750863 0.71 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBHCAR1
SCHEMBL10669003 0.71 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KB
SCHEMBL27520126 0.70 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBFDPS
SCHEMBL27438643 0.70 FDPS (0.35) PI4KAPI4K2BPI4K2API4KBFDPS
SCHEMBL24783349 0.70 CYP1A2 (0.39) HCAR1FDPSALDH1A1CYP1A2CYP3A4
SCHEMBL2194142 0.70 HCAR1 (0.50) PI4KAPI4K2BPI4K2API4KBHCAR1
SCHEMBL26745032 0.68 CYP1A2 (0.38) FDPSALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL24329965 0.68 CYP11B1 (0.57) PI4KAPI4K2BPI4K2API4KBHCAR1
SCHEMBL31321057 0.68 CYP11B1 (0.57) PI4KAPI4K2BPI4K2API4KBHCAR1
SCHEMBL29380629 0.68 FDPS (0.35) FDPSALDH1A1CYP1A2CYP3A4CYP2C9

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
US-4751292-A PLANT GROWTH REGULATORS THE PLANT CELL RESEARCH INSTITUTE, INC. 1988-06-14 US claimed
US-4751292-A PLANT GROWTH REGULATORS THE PLANT CELL RESEARCH INSTITUTE, INC. 1988-06-14 US disclosed
US-4751292-A PLANT GROWTH REGULATORS THE PLANT CELL RESEARCH INSTITUTE, INC. 1988-06-14 US disclosed
US-4751292-A PLANT GROWTH REGULATORS THE PLANT CELL RESEARCH INSTITUTE, INC. 1988-06-14 US disclosed