SCHEMBL9669181

SCHEMBL9669181

CSc1ccccc1C(=O)c1ccccc1SC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
KMT2A Q03164 6/20 0.53
GAA P10253 2/20 0.53
HPGD P15428 4/20 0.51
MEN1 O00255 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
HSD17B10 Q99714 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 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
SCHEMBL3440607 0.90 LMNA (0.49) HTTKMT2AGAAHPGDMEN1
SCHEMBL27205433 0.90 ALDH1A1 (0.54) HTTKMT2AGAAMEN1ALDH1A1
SCHEMBL8578095 0.87 AKR1C3 (0.55) HTTKMT2AGAAHPGDMEN1
SCHEMBL17557422 0.85 HTT (0.44) HTTKMT2AGAAHPGDMEN1
SCHEMBL3440477 0.85 TSHR (0.63) KMT2AHPGDMEN1ALDH1A1MAPT
SCHEMBL709788 0.84 POLB (0.68) HTTKMT2AGAAHPGDMEN1
SCHEMBL26622207 0.84 HTT (0.53) HTTKMT2AGAAHPGDMEN1
SCHEMBL29391544 0.84 POLB (0.68) HTTKMT2AGAAHPGDMEN1
SCHEMBL2199723 0.84 ALDH1A1 (0.58) HTTKMT2AGAAHPGDMEN1
SCHEMBL11757707 0.82 PLK1 (0.50) HTTKMT2AGAAHPGDMEN1

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
CN-107278205-A Substituted nucleoside derivates as anticarcinogen 辉瑞大药厂 2017-10-20 CN disclosed
EP-0508999-A1 PHARMACEUTICALLY ACTIVE NORMONYL COMPOUNDS Beecham Group p.l.c. (GB) 1992-10-21 EP disclosed