SCHEMBL28294058

SCHEMBL28294058

CCOC(=O)c1cccc(-c2ccsc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.53
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GALR1 P47211 1/20 0.49
CDC7 O00311 1/20 0.49
DBF4 Q9UBU7 1/20 0.49

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
SCHEMBL29617015 0.86 TP53 (0.62) TP53POLBHPGDMAPTGALR1
SCHEMBL4193217 0.85 TP53 (0.61) TP53POLBHPGDGALR1
SCHEMBL7871362 0.84 KAT6A (0.48) CHEK2MEN1USP2MAPTALOX15
SCHEMBL1697936 0.84 CA12 (0.54)
SCHEMBL6705545 0.82 MAPT (0.55) CHEK2HPGDMEN1USP2MAPT
SCHEMBL2404818 0.82 NPC1 (0.59) TP53POLBHPGDMAPT
SCHEMBL5863201 0.80 TP53 (0.57) TP53POLBHPGDGALR1
SCHEMBL11223090 0.80 TP53 (0.59) TP53POLBHPGDMAPTKMT2A
SCHEMBL2265211 0.79 IMPDH2 (0.57) TP53POLBHPGD
SCHEMBL5863231 0.79 TP53 (0.56) TP53POLBHPGDMEN1MAPT

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
CN-109776537-A Purinedione as WNT pathway modulators 新加坡科技研究局 2019-05-21 CN disclosed