SCHEMBL28039072

SCHEMBL28039072

O=S(=O)(c1ccccc1Cl)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CTSS P25774 6/20 0.46
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ELOVL6 Q9H5J4 1/20 0.43
AKR1B1 P15121 1/20 0.41
FAAH O00519 2/20 0.41
HSD11B1 P28845 1/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
RIPK1 Q13546 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
COMT P21964 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3223437 0.87 HTR6 (0.47) ALDH1A1L3MBTL1CTSSHTR2AHTR2C
SCHEMBL2642501 0.84 TSHR (0.50) ALDH1A1L3MBTL1CTSSAKR1B1TSHR
SCHEMBL2642487 0.82 ALDH1A1 (0.40) ALDH1A1L3MBTL1CTSSHTR2AHTR2C
SCHEMBL1139758 0.82 AKR1C3 (0.45) ALDH1A1L3MBTL1CTSSELOVL6FAAH
SCHEMBL2642491 0.81 COMT (0.45) ALDH1A1L3MBTL1CTSSELOVL6TSHR
SCHEMBL15338537 0.81 ALDH1A1 (0.46) ALDH1A1L3MBTL1CTSSELOVL6AKR1B1
SCHEMBL2683108 0.81 ALDH1A1 (0.46) ALDH1A1L3MBTL1CTSSELOVL6AKR1B1
SCHEMBL2683110 0.81 ALDH1A1 (0.46) ALDH1A1L3MBTL1CTSSELOVL6AKR1B1
SCHEMBL2954563 0.81 ALDH1A1 (0.48) ALDH1A1L3MBTL1CTSSKMT2A
SCHEMBL1139403 0.80 ELOVL6 (0.44) ALDH1A1L3MBTL1CTSSHTR2AHTR2C

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-102884047-B 2-pyridone compounds NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-11-25 CN disclosed