SCHEMBL30218346

SCHEMBL30218346

CC(=O)Oc1c(-c2ccc(F)cc2)n(C)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KMT2A Q03164 4/20 0.48
MEN1 O00255 1/20 0.48
WDR5 P61964 1/20 0.47
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 2/20 0.45
PKM P14618 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
MAPK14 Q16539 1/20 0.42
HK1 P19367 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 2/20 0.42
NPC1 O15118 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
SCHEMBL30218353 0.76 SMN1; SMN2 (0.38) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL7486679 0.76 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2WDR5CYP2C19
SCHEMBL9760582 0.75 KDM4E (0.61) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL28428637 0.74 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2WDR5CYP2C19
SCHEMBL9588769 0.74 ALDH1A1 (0.72) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL15154544 0.73 AHR (0.56) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL4220932 0.72 HTT (0.46) ALDH1A1KDM4ESMN1; SMN2KMT2AWDR5
SCHEMBL15154191 0.72 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL5048604 0.71 HTT (0.45) ALDH1A1KDM4ESMN1; SMN2KMT2AWDR5
SCHEMBL6478378 0.71 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1

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
CN-115867532-A Inhibitors of APOL1 and uses thereof 弗特克斯药品有限公司 2023-03-28 CN disclosed