SCHEMBL11633530

SCHEMBL11633530

CC(C)(C)c1ccc2sc3cc(C#N)ccc3c(=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 5/20 0.45
▸ CSNK1G2 P78368 4/20 0.45
▸ KIF11 P52732 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ G6PD P11413 2/20 0.36
▸ STS P08842 1/20 0.36
▸ CSNK1A1 P48729 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ MIF P14174 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ EPHX2 P34913 1/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ CCR9 P51686 1/20 0.33

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
SCHEMBL28453419 0.85 STS (0.45) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL19735281 0.84 CSNK1D (0.49) CSNK1DCSNK1G2KIF11L3MBTL1G6PD
SCHEMBL24617017 0.84 CSNK1D (0.49) CSNK1DCSNK1G2KIF11L3MBTL1G6PD
SCHEMBL28456601 0.82 G6PD (0.47) KDM4ETDP1G6PDSTSMIF
SCHEMBL28462335 0.79 STS (0.49) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL11632495 0.78 CYP2A6 (0.44) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL7719779 0.78 KDM4E (0.58) KIF11KDM4ENPC1ALDH1A1MAPT
SCHEMBL11631827 0.78 KDM4E (0.50) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL30227432 0.78 KDM4E (0.58) KIF11KDM4ENPC1ALDH1A1MAPT
SCHEMBL11633430 0.76 KIF11 (0.51) KIF11NPC1RAB9ATDP1EPHX2

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
US-4103015-A TRICYCLIC THIOXANTHONE-10,10-DIOXIDES BURROUGHS WELLCOME CO. (US) 1978-07-25 — — US disclosed
Send feedback