SCHEMBL6676240

SCHEMBL6676240

O=C(Cc1cccc2ccccc12)Nc1cn(-c2ccccc2)nc1-c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
ALDH1A1 P00352 6/20 0.62
KDM4E B2RXH2 5/20 0.62
MAPT P10636 3/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
TSHR P16473 1/20 0.55
MAPK10 P53779 9/20 0.51
MAPK8 P45983 8/20 0.51
HPGD P15428 3/20 0.49
LMNA P02545 3/20 0.49
PTGER4 P35408 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
MAPK9 P45984 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MITF O75030 1/20 0.47

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
SCHEMBL6683498 0.80 MEN1 (0.59) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6679150 0.79 MEN1 (0.59) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6677449 0.79 MEN1 (0.59) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6681967 0.78 MEN1 (0.66) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6672985 0.77 MEN1 (0.59) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6691874 0.76 ALDH1A1 (1.00) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6678084 0.76 MAPT (0.72) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6686801 0.75 MEN1 (0.71) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL11157838 0.73 ALDH1A1 (0.67) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6681190 0.73 MEN1 (0.64) MEN1KMT2AALDH1A1KDM4EMAPT

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