SCHEMBL9753850

SCHEMBL9753850

O=P(O)(O)c1ccn2c(P(=O)(O)O)cnc2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
PKM P14618 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
GLA P06280 1/20 0.33
GGPS1 O95749 1/20 0.33
FDPS P14324 1/20 0.33
KDR P35968 1/20 0.32
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA5A P35218 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8605388 0.80 KDM4E (0.43) NPSR1ALDH1A1KDM4EGAAPKM
SCHEMBL9753836 0.75 CLK1 (0.36) NPSR1GGPS1FDPSCA2CA4
SCHEMBL8609215 0.72 KDR (0.33) KDR
SCHEMBL8606282 0.72 KDR (0.33) ALDH1A1KDM4EGAAPKMNPC1
SCHEMBL9753612 0.63 ALDH1A1 (0.36) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL9753684 0.63 GGPS1 (0.35) NPSR1GGPS1FDPSCA2CA4
SCHEMBL8605704 0.60
SCHEMBL2590640 0.60 NPSR1 (0.69) NPSR1ALDH1A1KDM4EGAAPKM
SCHEMBL14740159 0.60 KDM4E (0.66) ALDH1A1KDM4EGAAPKMNPC1
SCHEMBL8608853 0.59 FDPS (0.30) FDPS

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