SCHEMBL880254

SCHEMBL880254

CCCCOC(=O)c1sc(NC(=N)NC(=O)C2CC2)nc1C

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
ALDH1A1 P00352 9/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
NPC1 O15118 4/20 0.46
KDM4E B2RXH2 4/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CASP6 P55212 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL14047501 0.90 ALDH1A1 (0.60) TSHRALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL14047437 0.78 LMNA (0.56) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL13522333 0.76 NPC1 (0.65) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL12162761 0.74 NPC1 (0.48) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6091201 0.71 ALDH1A1 (0.59) TSHRALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL14047502 0.70 ALDH1A1 (0.56) TSHRALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL6086619 0.70 ALDH1A1 (0.67) TSHRALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL348371 0.69 TSHR (0.60) TSHRALDH1A1HPGDPOLBMEN1
SCHEMBL2208204 0.68 ALDH1A1 (0.72) TSHRALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL6087860 0.68 SMN1; SMN2 (0.66) TSHRALDH1A1HPGDSMN1; SMN2MEN1

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-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed