SCHEMBL4780386

SCHEMBL4780386

O=C1SC(Cc2ccc3[nH]c4ccc(C(c5ccccc5)(c5ccccc5)c5ccccc5)cc4c3c2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
CFTR P13569 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PPARG P37231 1/20 0.31
MDH2 P40926 1/20 0.30
MAOB P27338 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
SCHEMBL4779291 0.91 KIF11 (0.36) KIF11KDM4EMAPTCFTRMEN1
SCHEMBL4845571 0.79 PPARG (0.49) MAPTALDH1A1PPARGMAOB
SCHEMBL27516237 0.77 MAPT (0.51) KDM4EMAPTCFTRMEN1ALDH1A1
SCHEMBL1130751 0.74 PPARG (0.49) KDM4EMAPTCFTRPPARGMAOB
SCHEMBL8304179 0.68 MCL1 (0.41) KDM4EMAPTCFTRMEN1ALDH1A1
SCHEMBL8309388 0.67 PPARG (0.44) KDM4EMAPTCFTRMEN1ALDH1A1
SCHEMBL24398177 0.66 KIF11 (0.71) KIF11KDM4EMAPTMEN1ALDH1A1
SCHEMBL8857154 0.65 PPARG (0.43) KDM4EMAPTCFTRMEN1ALDH1A1
SCHEMBL7833699 0.65 PPARG (0.33) KDM4EMAPTPPARG
SCHEMBL8305019 0.64 RECQL (0.42) KDM4EMAPTALDH1A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 WO disclosed