SCHEMBL20723018

SCHEMBL20723018

CCCc1c(C)c(C(=O)O)nc2c(-c3ccccc3)c(C)nn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.52
▸ MAPT P10636 8/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KDM4E B2RXH2 6/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ HPGD P15428 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ CRHR1 P34998 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ HCRTR1 O43613 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL20723097 0.90 MAPT (0.52) GLAMAPTNPSR1TDP1L3MBTL1
SCHEMBL20723019 0.78 GLA (0.48) GLAMAPTNPSR1TDP1L3MBTL1
SCHEMBL20723050 0.76 GLA (0.52) GLAMAPTNPSR1TDP1L3MBTL1
SCHEMBL20723235 0.76 GLA (0.39) GLAMAPTNPSR1TDP1L3MBTL1
SCHEMBL24923493 0.75 MAPT (0.46) MAPTNPSR1TDP1L3MBTL1KDM4E
SCHEMBL20723084 0.72 KDM4E (0.52) GLAMAPTNPSR1TDP1L3MBTL1
SCHEMBL20723016 0.71 ALDH1A1 (0.51) GLAMAPTNPSR1TDP1L3MBTL1
SCHEMBL20723082 0.70 GLA (0.48) GLAMAPTNPSR1TDP1L3MBTL1
SCHEMBL20723124 0.70 CRHR1 (0.48) GLAMAPTNPSR1TDP1L3MBTL1
SCHEMBL20723096 0.69 KDM4E (0.55) GLAMAPTNPSR1TDP1L3MBTL1

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