SCHEMBL20723218

SCHEMBL20723218

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.49
▸ MAPT P10636 6/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ PIN1 Q13526 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GCGR P47871 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ RORC P51449 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL20723047 0.88 MAPT (0.42) MAPTTDP1PIN1KDM4EHSD17B10
SCHEMBL20723203 0.87 TP53 (0.45) MAPTTDP1PIN1KDM4EALDH1A1
SCHEMBL20723261 0.81 TSHR (0.49) CRHR1MAPTKDM4EHSD17B10LMNA
SCHEMBL20722968 0.78 MAPT (0.49) CRHR1MAPTTDP1PIN1KDM4E
SCHEMBL20723262 0.77 MAPT (0.39) MAPTTDP1KDM4EHSD17B10LMNA
SCHEMBL20723241 0.77 CRHR1 (0.43) CRHR1MAPTTDP1KDM4ESMN1; SMN2
SCHEMBL20723234 0.76 CRHR1 (0.50) CRHR1MAPTTDP1KDM4EHSD17B10
SCHEMBL20723019 0.74 GLA (0.48) MAPTTDP1KDM4EHSD17B10LMNA
SCHEMBL20722966 0.74 CRHR1 (0.54) CRHR1MAPTTDP1KDM4EHSD17B10
SCHEMBL20723160 0.72 MAPT (0.48) MAPTTDP1KDM4EHSD17B10LMNA

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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