SCHEMBL20723241

SCHEMBL20723241

CCc1c(C(=O)O)nc2c(-c3ccccc3Cl)c(C)nn2c1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 8/20 0.43
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ P2RX7 Q99572 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL20723262 0.88 MAPT (0.39) NPSR1KDM4EMAPTTDP1L3MBTL1
SCHEMBL20723261 0.86 TSHR (0.49) CRHR1KMT2AMEN1TP53NPSR1
SCHEMBL20723203 0.82 TP53 (0.45) TP53NPSR1KDM4EMAPTTDP1
SCHEMBL20723047 0.80 MAPT (0.42) KMT2AMEN1TP53NPSR1KDM4E
SCHEMBL20723218 0.77 CRHR1 (0.49) CRHR1TP53NPSR1KDM4EMAPT
SCHEMBL20723108 0.75 KMT2A (0.46) CRHR1KMT2AMEN1TP53NPSR1
SCHEMBL20723240 0.73 GCGR (0.37) KMT2AMEN1NPSR1KDM4EMAPT
SCHEMBL20723230 0.73 CRHR1 (0.45) CRHR1KMT2AMEN1TP53NPSR1
SCHEMBL20723019 0.72 GLA (0.48) KMT2AMEN1TP53NPSR1KDM4E
SCHEMBL20723105 0.71 CRHR1 (0.49) CRHR1KMT2AMEN1TP53KDM4E

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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