SCHEMBL27819554

SCHEMBL27819554

Nc1cc(N)c(O)c(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.46
PIM1 P11309 1/20 0.38
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 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
SCHEMBL27915781 0.82 ERN1 (0.47) ERN1PIM1
SCHEMBL14222970 0.80 ERN1 (0.45) ERN1PIM1
SCHEMBL15309546 0.78 ALDH1A1 (0.54) ERN1PIM1THRBMAPT
SCHEMBL6901379 0.76 MEN1 (0.32) ERN1THRBLMNAMAPT
SCHEMBL18699231 0.75 ERN1 (0.41) ERN1PIM1LMNAMAPT
SCHEMBL15002702 0.75 ERN1 (0.45) ERN1PIM1THRBLMNAMAPT
SCHEMBL13176825 0.75 ERN1 (0.45) ERN1PIM1
SCHEMBL9218249 0.74 LMNA (0.31) THRBLMNA
SCHEMBL95449 0.74 THRB (0.50) THRBLMNAMAPT
SCHEMBL13258531 0.74 ERN1 (0.44) ERN1PIM1LMNAMAPT

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
CN-101939313-B 3,8-diaminotetrahydroquinoline derivative ZERIA PHARM CO LTD 2013-05-22 CN disclosed
CN-101939313-A 3,8-diamino tetrahydroquinoline derivative ZERIA PHARM CO LTD 2011-01-05 CN disclosed