SCHEMBL28040182

SCHEMBL28040182

O=C(c1ccccc1)c1ccc(S)cc1.[KH]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
SRD5A2 P31213 2/20 0.62
L3MBTL1 Q9Y468 3/20 0.56
ATM Q13315 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
RAB9A P51151 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
MAPK13 O15264 1/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54
MAPK14 Q16539 1/20 0.54
NPC1 O15118 4/20 0.52
HPGD P15428 3/20 0.52
ELANE P08246 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CA12 O43570 1/20 0.48

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
SCHEMBL1127547 0.98 ALDH1A1 (0.70) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL17416119 0.95 ALDH1A1 (0.67) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL28039793 0.95 ALDH1A1 (0.67) ALDH1A1SRD5A2L3MBTL1ATMTDP1
Benzophenone SCHEMBL22320242 0.90 ALDH1A1 (0.74) ALDH1A1SRD5A2L3MBTL1ATMTDP1
Alcohol SCHEMBL11267582 0.87 ALDH1A1 (0.56) ALDH1A1SRD5A2L3MBTL1ATMTDP1
Toluene SCHEMBL22497424 0.87 ALDH1A1 (0.58) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL3424125 0.87 SRD5A2 (0.55) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL15006706 0.86 RAB9A (0.61) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL12141684 0.86 SRD5A2 (0.67) ALDH1A1SRD5A2ELANE
Ethylamine SCHEMBL11299428 0.86 ALDH1A1 (0.54) ALDH1A1SRD5A2L3MBTL1ATMTDP1

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-105008427-B Block copolymer and its manufacture method 东丽株式会社 2017-03-08 CN disclosed
CN-105008427-A Block copolymer and production method for same TORAY INDUSTRIES 2015-10-28 CN disclosed