SCHEMBL6445627

SCHEMBL6445627

C=CCSSn1nc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CYP3A4 P08684 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HPGD P15428 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ TRPA1 O75762 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6910193 0.81 MEN1 (0.41) MEN1KMT2AGAAHTTCYP3A4
SCHEMBL16926992 0.75 KDM4E (0.46) GAAHTTNPC1RAB9ASMN1; SMN2
SCHEMBL3805246 0.71 TDP1 (0.42) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL27637847 0.67 SLC9A1 (0.40) NPC1RAB9A
SCHEMBL4427147 0.66 KDM4E (0.47) MEN1KMT2AGAAHTTCYP3A4
SCHEMBL175640 0.65 KMT2A (0.77) MEN1KMT2ANPC1RAB9ASMN1; SMN2
Biphenyl SCHEMBL9763702 0.65 ALDH1A1 (0.55) MEN1KMT2AGAAHTTCYP3A4
SCHEMBL4157483 0.63 ALDH1A1 (0.46) MEN1KMT2ACYP3A4RAB9ASMN1; SMN2
SCHEMBL15834796 0.62 KDM4E (0.42) GAAHTTNPC1RAB9AHPGD
Diallyldisulfide SCHEMBL668587 0.61 ALDH1A1 (0.50) CYP3A4CYP2C19HPGDALDH1A1TRPA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594943-B1 LUBRICATING OIL COMPOSITIONS SHELL INT RESEARCH (NL) 2019-01-16 — — EP disclosed
EP-1594943-A2 LUBRICATING OIL COMPOSITIONS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2005-11-16 — — EP disclosed
US-20040224860-A1 Lubricating oil compositions SHELL OIL COMPANY 2004-11-11 — — US disclosed
WO-2004074412-A2 LUBRICATING OIL COMPOSITIONS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2004-09-02 — — WO disclosed
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