SCHEMBL20723261

SCHEMBL20723261

CCc1c(C(=O)O)nc2c(-c3ccccc3OC)c(C)nn2c1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.49
▸ MAPT P10636 7/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ CRHR1 P34998 1/20 0.47
▸ LMNA P02545 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ KDM4E B2RXH2 4/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ TP53 P04637 3/20 0.46
▸ USP2 O75604 1/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42

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
SCHEMBL20723262 0.86 MAPT (0.39) MAPTLMNASMN1; SMN2KDM4EHSD17B10
SCHEMBL20723241 0.86 CRHR1 (0.43) MAPTMEN1KMT2ACRHR1SMN1; SMN2
SCHEMBL20723218 0.81 CRHR1 (0.49) MAPTCRHR1LMNASMN1; SMN2KDM4E
SCHEMBL20723047 0.78 MAPT (0.42) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL20723203 0.77 TP53 (0.45) MAPTKDM4EMAPK1TP53NPSR1
SCHEMBL20723179 0.76 TSHR (0.57) TSHRMAPTMEN1KMT2ACRHR1
SCHEMBL20723161 0.74 TP53 (0.52) TSHRMAPTMEN1KMT2ACRHR1
SCHEMBL20723178 0.73 TSHR (0.55) TSHRMAPTMEN1KMT2ACRHR1
SCHEMBL20723240 0.72 GCGR (0.37) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL20723019 0.71 GLA (0.48) TSHRMAPTMEN1KMT2ALMNA

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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