SCHEMBL9753612

SCHEMBL9753612

O=P(O)(O)c1ccn2cc(P(=O)(O)O)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 3/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA5A P35218 1/20 0.31
HDAC1 Q13547 1/20 0.31
FBP1 P09467 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 2/20 0.31
ALOX15 P16050 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.30
GFER P55789 1/20 0.30
KMT2A Q03164 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
SCHEMBL8608614 0.80 KDM4E (0.38) ALDH1A1TDP1POLBKDM4EL3MBTL1
SCHEMBL9753435 0.76 ALDH1A1 (0.35) ALDH1A1TDP1CA2CA4CA5A
SCHEMBL8606802 0.72
SCHEMBL9247838 0.71 METTL3 (0.41) ALDH1A1TDP1POLBKDM4EL3MBTL1
SCHEMBL8607526 0.66 KDM4E (0.47) ALDH1A1POLBKDM4ETP53SMN1; SMN2
SCHEMBL9753544 0.64 PGK1 (0.39)
SCHEMBL9753850 0.63 NPSR1 (0.37) ALDH1A1TDP1KDM4ECA2CA4
SCHEMBL8608425 0.63 LMNA (0.37) ALDH1A1POLBKDM4ESMN1; SMN2NPC1
SCHEMBL9753705 0.62 FBP1 (0.34) ALDH1A1KDM4EFBP1NPC1GAA
SCHEMBL8388202 0.60 CA2 (0.48) ALDH1A1TDP1KDM4ECA2CA4

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-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP claimed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO claimed
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP disclosed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO disclosed