SCHEMBL6691874

SCHEMBL6691874

O=C(Nc1cccc2ccccc12)c1cn(-c2ccccc2)nc1-c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 1.00
KMT2A Q03164 9/20 1.00
MEN1 O00255 8/20 1.00
MAPT P10636 8/20 1.00
KDM4E B2RXH2 6/20 1.00
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2C19 P33261 2/20 1.00
CYP2D6 P10635 1/20 1.00
HPGD P15428 2/20 0.68
NPSR1 Q6W5P4 1/20 0.67
USP2 O75604 1/20 0.62
TP53 P04637 1/20 0.62
MAPK1 P28482 1/20 0.62
TDP1 Q9NUW8 2/20 0.61
MCL1 Q07820 1/20 0.61
GAA P10253 3/20 0.58
TSHR P16473 3/20 0.55
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54

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
SCHEMBL6677490 0.83 KMT2A (0.89) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL6689240 0.81 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL6680850 0.80 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL6680626 0.79 ALDH1A1 (0.83) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL6680344 0.79 KMT2A (0.81) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL6670526 0.79 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL6683324 0.78 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL6670517 0.78 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL6670346 0.77 CA12 (0.74) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL5330487 0.77 KMT2A (0.77) ALDH1A1KMT2AMEN1MAPTKDM4E

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 claimed