SCHEMBL9753726

SCHEMBL9753726

CCC(O)(c1ccc2nc(-c3nnn[nH]3)cn2c1)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
RCE1 Q9Y256 1/20 0.33
MAPT P10636 1/20 0.32
MAP3K5 Q99683 3/20 0.31
NR4A2 P43354 1/20 0.31
KCNH2 Q12809 1/20 0.31
CLK2 P49760 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
SCHEMBL8608922 0.76 ALDH1A1 (0.33) KDM4ENPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL9844987 0.73 EGLN1 (0.30) KDM4ENPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL8605684 0.72 PGK1 (0.32) KDM4EALDH1A1RAB9ANR4A2
SCHEMBL8607360 0.70 ALDH1A3 (0.45) KDM4ENPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL9753722 0.67 APP (0.32) KDM4ENPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL8605667 0.67
SCHEMBL8610050 0.67 TBXAS1 (0.42) SMN1; SMN2
SCHEMBL8606962 0.67 KDM6B (0.35) KDM4ENPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8608694 0.66
SCHEMBL8606409 0.66 ALDH1A3 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO claimed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO disclosed