SCHEMBL2329915

SCHEMBL2329915

[C]1SC=CSC1c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 3/20 0.32
ALOX15 P16050 2/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 3/20 0.32
ALOX12 P18054 1/20 0.32
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL446332 0.70 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL25425375 0.68
SCHEMBL11109665 0.67 MAPT (0.34) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL497608 0.60
SCHEMBL5657603 0.59 KDM4E (0.35) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13185230 0.59 MAPT (0.37) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL643612 0.59 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL11286601 0.58
SCHEMBL3657117 0.58
SCHEMBL30497927 0.58 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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
EP-2089425-B1 ANTI-ANGIOGENIC COMPOUNDS COVX TECHNOLOGIES IRELAND LTD (IE) 2011-08-17 EP disclosed