SCHEMBL31236615

SCHEMBL31236615

CC(C)(C)c1cc2ccc3c(-c4ccccc4)cc(-n4c5ccccc5c5ccccc54)c4ccc(c1)c2c34

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 4/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 4/20 0.31
GPR84 Q9NQS5 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KIF11 P52732 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
HPGD P15428 2/20 0.30
MPI P34949 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9921094 0.90 TUBB4A (0.35) ALDH1A1MAPTNPSR1MAPK1
SCHEMBL9920971 0.87 KDM4E (0.40) HSD17B10ALDH1A1MAPTNPSR1MAPK1
SCHEMBL9921069 0.87 KDM4E (0.36) HSD17B10ALDH1A1MAPTNPSR1MAPK1
SCHEMBL9920972 0.86 KDM4E (0.39) HSD17B10ALDH1A1MAPTNPSR1MAPK1
SCHEMBL9920856 0.85 KDM4E (0.38) HSD17B10ALDH1A1MAPTNPSR1MAPK1
SCHEMBL9920958 0.84 GPR84 (0.35) ALDH1A1MAPTNPSR1MAPK1KDM4E
SCHEMBL9921099 0.84 GPR84 (0.35) ALDH1A1MAPTNPSR1MAPK1KDM4E
SCHEMBL9920966 0.84 GPR84 (0.35) ALDH1A1MAPTNPSR1MAPK1KDM4E
SCHEMBL12577043 0.84 HSD17B10 (0.42) HSD17B10ALDH1A1MAPTMAPK1KDM4E
SCHEMBL21234911 0.84 KDM4E (0.38) HSD17B10ALDH1A1MAPTNPSR1MAPK1

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-118961665-A Application of asymmetric pyrenyl derivative in fingerprint extraction 山东理工大学 2024-11-15 CN disclosed