SCHEMBL4878087

SCHEMBL4878087

Cc1ccc(CN(Cc2ccc(C)cc2)C(=S)CC#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.40
▸ PYCR1 P32322 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALDH2 P05091 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ MGLL Q99685 1/20 0.33

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
SCHEMBL4875642 0.82 ALDH1A1 (0.49) ALDH1A1PYCR1GAAMAPTHTT
SCHEMBL4867120 0.76 CRHBP (0.48) ALDH1A1PYCR1LMNASMN1; SMN2MGLL
SCHEMBL28547795 0.68 GAA (0.50) ALDH1A1GAATHRBMAPTHTT
SCHEMBL25554743 0.67 ALDH1A1 (0.75) ALDH1A1GAAALDH2MAPTHTT
SCHEMBL28458644 0.66 L3MBTL1 (0.50) ALDH1A1GAATHRBLMNAKMT2A
SCHEMBL6121700 0.64 POLB (0.46) ALDH1A1POLBMAPT
SCHEMBL2718789 0.64 POLB (0.46) ALDH1A1POLBMAPT
SCHEMBL11030758 0.64 CYP1A2 (0.46) ALDH1A1GAATHRBPOLBHTT
SCHEMBL4967718 0.64 CYP2C19 (0.50) ALDH1A1PYCR1
SCHEMBL247479 0.64 CYP2A6 (0.46) ALDH1A1PYCR1GAAPOLBMAPT

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
US-20080171440-A1 Pre-polishing treatment solution for interconnect substrate, polishing method, and method and apparatus for manufacturing interconnect substrate EBARA CORPORATION (JP) 2008-07-17 — — US disclosed
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