SCHEMBL20723047

SCHEMBL20723047

CCc1c(C(=O)O)nc2c(-c3cccc(C)c3)c(C)nn2c1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.42
▸ KDM4E B2RXH2 7/20 0.42
▸ NPSR1 Q6W5P4 4/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ THRB P10828 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ PIN1 Q13526 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL20723203 0.90 TP53 (0.45) MAPTKDM4ENPSR1TDP1L3MBTL1
SCHEMBL20723218 0.88 CRHR1 (0.49) MAPTKDM4ENPSR1TDP1L3MBTL1
SCHEMBL20723241 0.80 CRHR1 (0.43) MAPTKDM4ENPSR1TDP1L3MBTL1
SCHEMBL20723262 0.80 MAPT (0.39) MAPTKDM4ENPSR1TDP1L3MBTL1
SCHEMBL20723261 0.78 TSHR (0.49) MAPTKDM4ENPSR1L3MBTL1ALDH1A1
SCHEMBL20723019 0.77 GLA (0.48) MAPTKDM4ENPSR1TDP1L3MBTL1
SCHEMBL20722940 0.76 MAPT (0.43) MAPTKDM4ENPSR1TDP1L3MBTL1
SCHEMBL20723240 0.76 GCGR (0.37) MAPTKDM4ENPSR1TDP1L3MBTL1
SCHEMBL20723330 0.73 MAPT (0.46) MAPTKDM4ENPSR1TDP1L3MBTL1
SCHEMBL20723233 0.71 TDP1 (0.47) MAPTKDM4ENPSR1TDP1L3MBTL1

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-3664806-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2020-06-17 — — EP disclosed
WO-2019032720-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2019-02-14 — — WO disclosed
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