SCHEMBL28085235

SCHEMBL28085235

NC(=O)c1csc(Sc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.46
POLB P06746 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 1/20 0.45
PARP1 P09874 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
CA2 P00918 2/20 0.38

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
SCHEMBL11400151 0.86 DAO (0.47) SIRT1POLBTDP1MAPTTSHR
SCHEMBL7826134 0.83 HPGD (0.58) SIRT1POLBTDP1MAPTL3MBTL1
SCHEMBL28085217 0.79 TSHR (0.50) MAPTTSHRHSD17B10L3MBTL1ALDH1A1
SCHEMBL4674493 0.76 ALDH1A1 (0.36) SIRT1POLBTDP1MAPTHSD17B10
SCHEMBL4674489 0.76 ALDH1A1 (0.36) SIRT1POLBTDP1MAPTHSD17B10
SCHEMBL2978952 0.74 HPGD (0.64) SIRT1POLBTDP1CYP3A4PARP1
SCHEMBL5316870 0.73 PARP1 (0.56) SIRT1POLBTDP1CYP3A4PARP1
SCHEMBL19494472 0.72 CTNNB1 (0.39) SIRT1TSHRSIRT2SIRT3ALOX5
SCHEMBL11401871 0.72 SIRT2 (0.43) SIRT1TDP1MAPTALDH1A1HPGD
SCHEMBL11403619 0.71 DAO (0.50) POLBMAPTHSD17B10L3MBTL1ALDH1A1

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-103446720-B Golf ball 邓禄普体育用品株式会社 2017-05-10 CN disclosed
CN-103446725-B Golf 邓禄普体育用品株式会社 2016-08-10 CN disclosed