SCHEMBL9870771

SCHEMBL9870771

CCCCN(CCCC)C(=S)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.47
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
LTA4H P09960 2/20 0.41
EGFR P00533 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ALDH2 P05091 1/20 0.40
ERBB2 P04626 2/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38

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
SCHEMBL9725706 0.89 LMNA (0.44) MAPTLMNAHTTGAAALDH1A1
SCHEMBL2462796 0.82 GRIN2D (0.50) MAPTLMNAALDH1A1KMT2A
SCHEMBL5299287 0.77 GRIN2D (0.47) MAPTLMNAALDH1A1KMT2A
SCHEMBL22450141 0.77 MEN1 (0.61) MAPTLMNAGAAHPGDALDH1A1
SCHEMBL9816840 0.77 ALDH1A1 (0.47) MAPTLMNAGAAHPGDALDH1A1
Ethane SCHEMBL27729139 0.76 GRIN2D (0.46) MAPTLMNAALDH1A1KMT2A
SCHEMBL31504001 0.74 LMNA (0.50) MAPTLMNAGAAHPGDKMT2A
SCHEMBL3483514 0.74 LMNA (0.50) MAPTLMNAGAAHPGDKMT2A
SCHEMBL6754891 0.73 MEN1 (0.51) MAPTLMNAKMT2AZDHHC2
SCHEMBL25586470 0.73 MAPT (0.45) MAPTHTTGAALTA4HALDH1A1

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
US-5019611-A Tetrahydrotriazinethiones THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-05-28 US disclosed
EP-0278890-A2 Non-staining and slightly-staining antiozonants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-08-17 EP disclosed