SCHEMBL6670517

SCHEMBL6670517

CCNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.69
KMT2A Q03164 9/20 0.69
MEN1 O00255 8/20 0.69
HPGD P15428 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
KDM4E B2RXH2 6/20 0.68
MAPT P10636 8/20 0.66
GAA P10253 2/20 0.66
KDM5B Q9UGL1 1/20 0.66
MCL1 Q07820 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2C19 P33261 2/20 0.64
USP2 O75604 1/20 0.64
TP53 P04637 1/20 0.64
MAPK1 P28482 1/20 0.64
CYP2D6 P10635 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.63
LMNA P02545 2/20 0.63

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
SCHEMBL6689859 0.89 KDM5B (0.67) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL6680626 0.87 ALDH1A1 (0.83) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL6677433 0.85 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL6682286 0.85 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL6677490 0.84 KMT2A (0.89) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL6683085 0.83 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL6670526 0.82 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL6684117 0.82 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL6677471 0.82 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL6680245 0.82 KDM5B (0.61) ALDH1A1KMT2AMEN1HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004037248-A2 MODULATION OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ACTIVITY CAREX SA (FR) 2004-05-06 WO claimed
WO-2004037248-A2 MODULATION OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ACTIVITY CAREX SA (FR) 2004-05-06 WO disclosed