SCHEMBL6689636

SCHEMBL6689636

COc1cccc(Cc2cn(-c3ccccc3)nc2-c2cccs2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.53
TSHR P16473 3/20 0.53
MAPK1 P28482 1/20 0.53
MAPT P10636 7/20 0.49
ADORA1 P30542 1/20 0.49
BRAF P15056 1/20 0.47
MAPK14 Q16539 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
GBA1 P04062 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.45

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
SCHEMBL6677031 0.79 LMNA (0.59) HSD17B10TSHRMAPK1MAPTSMN1; SMN2
SCHEMBL6678681 0.79 ALDH1A1 (0.68) HSD17B10MAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6701527 0.78 MAPT (0.44) HSD17B10TSHRMAPK1MAPTSMN1; SMN2
SCHEMBL6677923 0.78 CCNE1 (0.53) MAPK1MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL6682346 0.77 KDM4E (0.49) MAPK1MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL6678055 0.74 ALDH1A1 (0.54) HSD17B10TSHRMAPK1MAPTSMN1; SMN2
SCHEMBL6683539 0.74 ADORA3 (0.54) TSHRMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL14133155 0.74 ALDH1A1 (0.64) HSD17B10TSHRMAPK1MAPTSMN1; SMN2
SCHEMBL6670350 0.74 KMT2A (0.53) HSD17B10TSHRMAPK1MAPTADORA1
SCHEMBL6677039 0.73 MEN1 (0.59) HSD17B10TSHRMAPTADORA1SMN1; 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 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