SCHEMBL9511053

SCHEMBL9511053

O=C(O)c1ncccc1CC(=O)P(=O)(O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.68
MAPT P10636 2/20 0.68
CYP1A2 P05177 1/20 0.68
ALDH1A1 P00352 5/20 0.47
ALOX15 P16050 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
AGER Q15109 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MYC P01106 1/20 0.40
KMT2A Q03164 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
FTO Q9C0B1 1/20 0.39
GAA P10253 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
NAPRT Q6XQN6 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1060005 0.81 KDM4E (1.00) KDM4EMAPTCYP1A2ALDH1A1ALOX15
SCHEMBL29766826 0.81 KDM4E (1.00) KDM4EMAPTCYP1A2ALDH1A1ALOX15
SCHEMBL30583181 0.80 KDM4E (0.62) KDM4EMAPTCYP1A2ALDH1A1ALOX15
SCHEMBL1983224 0.80 KDM4E (0.62) KDM4EMAPTCYP1A2ALDH1A1ALOX15
SCHEMBL27231741 0.77 KDM4E (0.72) KDM4EMAPTCYP1A2ALDH1A1ALOX15
SCHEMBL990359 0.75 KDM4E (0.70) KDM4EMAPTCYP1A2ALDH1A1ALOX15
Benzene SCHEMBL11818131 0.75 KDM4E (0.70) KDM4EMAPTCYP1A2ALDH1A1ALOX15
SCHEMBL353589 0.75 KDM4E (0.70) KDM4EMAPTCYP1A2ALDH1A1ALOX15
SCHEMBL9603138 0.75 KDM4E (0.55) KDM4EMAPTCYP1A2ALDH1A1ALOX15
SCHEMBL131588 0.74 KDM4E (0.68) KDM4EMAPTCYP1A2ALDH1A1ALOX15

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
EP-0557375-A1 NEW HETEROCYCLIC COMPOUNDS AS ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS, PROCESSES FOR THEIR PREPARATION AND THEIR USE Astra Aktiebolag (SE) 1993-09-01 EP disclosed
WO-1992008724-A1 NEW HETEROCYCLIC COMPOUNDS AS ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AKTIEBOLAGET ASTRA (SE) 1992-05-29 WO disclosed