SCHEMBL9099400

SCHEMBL9099400

Nc1ncc(Sc2ccc3cccnc3n2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.37
WDR5 P61964 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NUDT1 P36639 1/20 0.31
GMNN O75496 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MMP2 P08253 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL9097135 0.79 NCF1 (0.41) MYCWDR5ALDH1A1KDM4EMEN1
SCHEMBL211069 0.75 EHMT2 (0.44) MYCWDR5ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL9047937 0.74 L3MBTL1 (0.45) MYCWDR5ALDH1A1KDM4EMEN1
SCHEMBL9096078 0.72 MAPT (0.44) MYCWDR5ALDH1A1LMNAKDM4E
SCHEMBL1607000 0.71 MYC (0.48) MYCWDR5ALDH1A1KDM4EHSP90AA1
SCHEMBL28443457 0.70 SMN1; SMN2 (0.45) MYCWDR5ALDH1A1LMNAKDM4E
SCHEMBL9098198 0.70 MYC (0.59) MYCWDR5ALDH1A1MAPTALOX15
SCHEMBL9099767 0.69 BACE1 (0.46) MYCWDR5ALDH1A1LMNAKDM4E
SCHEMBL9097754 0.69 BACE1 (0.46) MYCWDR5ALDH1A1LMNAKDM4E
SCHEMBL9099215 0.69 HPGD (0.54) MYCWDR5ALDH1A1LMNAKDM4E

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
WO-1996030370-A2 THIAZOLE AND THIADIAZOLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS USEFUL IN THE TREATMENT OF THROMBOCYTOPENIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-03 WO disclosed