SCHEMBL11828149

SCHEMBL11828149

CNC(=S)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.73
ALDH1A1 P00352 6/20 0.73
KMT2A Q03164 6/20 0.73
HTT P42858 4/20 0.73
MEN1 O00255 3/20 0.73
ALOX12 P18054 6/20 0.69
HPGD P15428 3/20 0.69
EPHX1 P07099 2/20 0.67
GAA P10253 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2C19 P33261 2/20 0.66
CYP2C9 P11712 1/20 0.66
LMNA P02545 4/20 0.63
POLB P06746 1/20 0.62
NPSR1 Q6W5P4 2/20 0.61
PLA2G1B P04054 1/20 0.58
ATG4B Q9Y4P1 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL6578291 0.87 ALDH1A1 (0.80) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL7028772 0.85 KMT2A (0.77) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL11833343 0.84 HPGD (0.64) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL1276402 0.82 GAA (0.84) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL23812525 0.82 GAA (0.84) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL201794 0.81 ALDH1A1 (0.67) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL14181848 0.81 KMT2A (0.71) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL11545867 0.79 GAA (1.00) MAPTALDH1A1KMT2AMEN1ALOX12
SCHEMBL11546140 0.79 GAA (0.72) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL12177297 0.79 HPGD (1.00) MAPTALDH1A1KMT2AHTTMEN1

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
US-3933814-A ANTIPROTOZOA, ANTICOCCIDIOSIS BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 US disclosed