SCHEMBL9844987

SCHEMBL9844987

O=P(O)(O)C(O)Cc1ccc2nc(-c3nnn[nH]3)cn2c1

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.30
APP P05067 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9753722 0.83 APP (0.32) APPKDM4ENPC1ALDH1A1RAB9A
SCHEMBL8606962 0.83 KDM6B (0.35) EGLN1APPKDM4ENPC1ALDH1A1
SCHEMBL8605684 0.81 PGK1 (0.32) KDM4EALDH1A1RAB9A
SCHEMBL8608922 0.78 ALDH1A1 (0.33) KDM4ENPC1ALDH1A1POLBGAA
SCHEMBL8606803 0.77 CPB2 (0.36) KDM4ENPC1ALDH1A1POLBGAA
SCHEMBL8607307 0.76 APP (0.34) APPKDM4ENPC1ALDH1A1POLB
SCHEMBL9753486 0.76 APP (0.35) APP
SCHEMBL8607292 0.75 MAP3K5 (0.32) EGLN1
SCHEMBL9753460 0.75 APP (0.32) APPKDM4ENPC1ALDH1A1RAB9A
SCHEMBL9753680 0.74

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 1 patent. 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 disclosed