SCHEMBL6050865

SCHEMBL6050865

[c]1c(-c2cccc(SCc3ccccc3)c2SCc2ccccc2)ccc2oc3ccccc3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 5/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
PKM P14618 1/20 0.33
RXFP1 Q9HBX9 3/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 2/20 0.33
CREBBP Q92793 1/20 0.33
ELANE P08246 2/20 0.32
TDP1 Q9NUW8 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL15900454 0.73 HPGD (0.37) MAPTMEN1KMT2AHPGDTDP1
SCHEMBL3675404 0.73 CA1 (0.51) MAPTATMPOLBMEN1KMT2A
SCHEMBL16670318 0.73 POLB (0.55) MAPTPOLBNPSR1MEN1KMT2A
SCHEMBL11610539 0.72 HPGD (0.36) MAPTPOLBMEN1KMT2APKM
SCHEMBL2585993 0.72 HPGD (0.36) MAPTMEN1KMT2AHPGDTDP1
SCHEMBL2593906 0.72 MAPT (0.40) MAPTATMTSHRMEN1KMT2A
SCHEMBL16670248 0.70 POLB (0.52) MAPTPOLBNPSR1MEN1KMT2A
SCHEMBL2589835 0.69 HPRT1 (0.41) MAPTTSHRHPGDTDP1ALDH1A1
SCHEMBL2593632 0.68 HPGD (0.41) MAPTPOLBMEN1KMT2APKM
SCHEMBL3965834 0.67 MAPT (0.36) MAPTATMPOLBNPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018134399-A1 NOVEL PRODRUGS OF MIZORIBINE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2018-07-26 WO disclosed
EP-1636232-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-03-22 EP disclosed
WO-2004104005-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-12-02 WO disclosed