SCHEMBL4875642

SCHEMBL4875642

COc1ccc(CN(Cc2ccc(OC)cc2)C(=S)CC#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ SNCA P37840 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALOX12 P18054 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ PYCR1 P32322 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ APLNR P35414 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
SCHEMBL4879817 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL1HTTMEN1KMT2A
SCHEMBL25424046 0.75 ALDH1A1 (0.49) ALDH1A1L3MBTL1NPSR1TDP1HTT
SCHEMBL25254642 0.71 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3484433 0.71 TDP1 (0.60) ALDH1A1L3MBTL1NPSR1TDP1HTT
SCHEMBL3575246 0.71 ALDH1A1 (0.55) ALDH1A1CYP3A4HTTALOX12PYCR1
SCHEMBL15662442 0.70 PYCR1 (0.70) ALDH1A1HTTMEN1KMT2APYCR1
SCHEMBL25555107 0.70 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11806780 0.69 ALDH1A1 (0.56) ALDH1A1L3MBTL1NPSR1TDP1HTT
SCHEMBL9416611 0.69 TSPO (0.58) ALDH1A1NPSR1TDP1HTTMEN1
SCHEMBL922780 0.69 HTT (0.54) ALDH1A1CYP3A4CYP2C19TDP1HTT

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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