SCHEMBL31484641

SCHEMBL31484641

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-c2ccncc2)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.36
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 2/20 0.32
RECQL P46063 1/20 0.32
KDM4E B2RXH2 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MAPK1 P28482 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
KDM1A O60341 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ADORA2A P29274 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
SCHEMBL31272516 0.87 KIF11 (0.39) KIF11ALDH1A1HSD17B10HPGDRECQL
SCHEMBL23629599 0.86 KIF11 (0.40) KIF11ALDH1A1HSD17B10HPGDRECQL
SCHEMBL19909304 0.84 KIF11 (0.44) KIF11ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL31273257 0.84 KIF11 (0.38) KIF11ALDH1A1HSD17B10HPGDRECQL
SCHEMBL25513108 0.83 HTR1D (0.35) KIF11ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL31273308 0.82 KIF11 (0.36) KIF11KDM4ENPSR1ADORA2A
SCHEMBL31484547 0.82 MAPK14 (0.37) ALDH1A1HSD17B10HPGDKDM4EMAPK1
SCHEMBL31484545 0.82 ADORA1 (0.37) ADORA2A
SCHEMBL30589480 0.81 HTR1D (0.35) KIF11ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL20278995 0.81 HTR1D (0.35) KIF11ALDH1A1HSD17B10HPGDKDM4E

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-119899174-A Synthesis process of pyridine carbazole compound 南京师范大学 2025-04-29 CN disclosed