SCHEMBL20723262

SCHEMBL20723262

CCc1c(C(=O)O)nc2c(-c3ccccc3F)c(C)nn2c1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ GCGR P47871 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CASR P41180 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ GNRHR P30968 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
SCHEMBL20723241 0.88 CRHR1 (0.43) MAPTKDM4ENPSR1TDP1L3MBTL1
SCHEMBL20723261 0.86 TSHR (0.49) MAPTKDM4ENPSR1L3MBTL1ALDH1A1
SCHEMBL20723047 0.80 MAPT (0.42) MAPTKDM4ENPSR1TDP1L3MBTL1
SCHEMBL20723203 0.78 TP53 (0.45) MAPTKDM4ENPSR1TDP1L3MBTL1
SCHEMBL20723218 0.77 CRHR1 (0.49) MAPTGCGRKDM4ENPSR1TDP1
SCHEMBL20723004 0.75 CFTR (0.39) MAPTKDM4ENPSR1ALDH1A1HPGD
SCHEMBL20723240 0.73 GCGR (0.37) MAPTGCGRKDM4ENPSR1TDP1
SCHEMBL20723091 0.73 NPSR1 (0.46) MAPTKDM4ENPSR1TDP1L3MBTL1
SCHEMBL20723019 0.72 GLA (0.48) MAPTATMKDM4ENPSR1TDP1
SCHEMBL24455330 0.70 MAPT (0.38) MAPTKDM4ENPSR1ALDH1A1HPGD

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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