SCHEMBL6673765

SCHEMBL6673765

CCN(CC)Cc1cn(-c2ccccc2)nc1-c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.51
KMT2A Q03164 10/20 0.51
MEN1 O00255 9/20 0.51
MAPT P10636 7/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
KDM4E B2RXH2 5/20 0.51
LMNA P02545 4/20 0.51
HTT P42858 3/20 0.51
GAA P10253 3/20 0.51
MITF O75030 1/20 0.51
UBE2N P61088 1/20 0.48
NPSR1 Q6W5P4 3/20 0.48
MAOB P27338 1/20 0.48
ATM Q13315 1/20 0.48
HPGD P15428 2/20 0.47
MCL1 Q07820 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPK1 P28482 1/20 0.47
NTSR1 P30989 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
SCHEMBL6674164 0.84 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6678055 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL14133155 0.80 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6670350 0.80 KMT2A (0.53) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL11157838 0.77 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6682346 0.77 KDM4E (0.49) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6673810 0.76 MEN1 (0.56) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6688421 0.75 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL11960241 0.74 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6674161 0.74 KMT2A (0.47) ALDH1A1KMT2AMEN1MAPTSMN1; 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
WO-2004037248-A2 MODULATION OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ACTIVITY CAREX SA (FR) 2004-05-06 WO disclosed