SCHEMBL24259919

SCHEMBL24259919

CC(=O)Nc1ccccc1NC(=O)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.67
TP53 P04637 2/20 0.67
TSHR P16473 2/20 0.66
CETP P11597 1/20 0.62
MDM2 Q00987 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 4/20 0.57
HPGD P15428 2/20 0.57
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.50
RECQL P46063 1/20 0.50
MAOA P21397 1/20 0.50
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL20761408 0.92 MDM4 (0.77) MDM4TP53TSHRCETPMDM2
SCHEMBL14790209 0.87 TP53 (0.56) MDM4TP53TSHRCETPMDM2
SCHEMBL6689158 0.85 ALDH1A1 (0.74) TSHRALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL24071131 0.84 MDM4 (0.67) MDM4TP53TSHRCETPMDM2
SCHEMBL10459409 0.81 ALDH1A1 (0.53) MDM4TP53TSHRALDH1A1HPGD
SCHEMBL14017837 0.80 ALDH1A1 (0.57) TSHRALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL12841231 0.80 MDM4 (1.00) MDM4TP53CETPMDM2L3MBTL1
SCHEMBL5186841 0.80 MDM4 (0.67) MDM4TP53CETPMDM2L3MBTL1
SCHEMBL10447471 0.80 TP53 (0.67) MDM4TP53CETPMDM2L3MBTL1
SCHEMBL6264293 0.79 MAPT (0.69) MDM4TP53CETPMDM2L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668872-B1 6-AMINO-7,9-DIHYDRO-8H-PURIN-8-ONE DERIVATIVES AS IMMUNOSTIMULANT TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-02-23 EP disclosed