SCHEMBL27693154

SCHEMBL27693154

CCCCCCCCCCCCCCNC(=S)Sc1ccccc1.[Zn]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.50
EPHX1 P07099 3/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
EGFR P00533 1/20 0.44
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43
PAX8 Q06710 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.42
ASAH1 Q13510 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL27712999 1.00 NAAA (0.50) NAAAEPHX1HTTALDH1A1EGFR
SCHEMBL27461463 0.94 HTT (0.49) NAAAEPHX1HTTALDH1A1HPGD
SCHEMBL6313221 0.92 HTT (0.50) NAAAEPHX1HTTALDH1A1HPGD
SCHEMBL15105228 0.90 IDO1 (0.43) NAAA
SCHEMBL31087287 0.86 MAPT (0.55) NAAAEPHX1HTTALDH1A1HPGD
SCHEMBL6305069 0.85 KMT2A (0.51) HTTALDH1A1HPGDGAAMAPT
SCHEMBL28057361 0.80 KDM4A (0.45) HTTALDH1A1HPGDGAAMAPT
SCHEMBL1425589 0.78 KDM4A (0.46) HTTALDH1A1HPGDGAAMAPT
SCHEMBL11667628 0.77 NAAA (0.45) NAAAEPHX1HTTALDH1A1EGFR
SCHEMBL15105069 0.77 LIPG (0.45) NAAAEPHX1HTTALDH1A1HPGD

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-101107346-B Urea-based lubricating grease composition SHELL INT RESEARCH 2010-12-01 CN disclosed
CN-101107346-A Urea-based lubricating grease composition SHELL INT RESEARCH (NL) 2008-01-16 CN disclosed