SCHEMBL9852004

SCHEMBL9852004

Cc1ccc(NCCCS(=O)(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
LMNA P02545 1/20 0.41
PLK1 P53350 1/20 0.41
PRSS1 P07477 2/20 0.41
PTPN1 P18031 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
HDAC1 Q13547 1/20 0.40
F2 P00734 1/20 0.40

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
SCHEMBL17195403 0.96 MAPT (0.55) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL9100229 0.89 MAPT (0.59) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL917966 0.84 MEN1 (0.44) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL917583 0.84 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL1823998 0.82 THRB (0.44) MAPTALDH1A1CA1CA2CA12
SCHEMBL917777 0.82 CYP2D6 (0.51) MAPTALDH1A1RAB9ACA1CA2
SCHEMBL246721 0.81 ALDH1A1 (0.59) MAPTALDH1A1CA1CA2CA12
SCHEMBL917492 0.81 GAA (0.59) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL4863183 0.81 MAPT (0.53) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL1897682 0.80 MAPT (0.61) MAPTALDH1A1MEN1KMT2AGAA

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-116768810-A Triazine derivative and preparation method and application thereof 福建省巴特斯化工实业有限公司 2023-09-19 CN disclosed
EP-0418169-A2 Method for determination of ion concentration, specific gravity, or osmotic pressure of a solution and apparatus therefor TERUMO KABUSHIKI KAISHA (JP) 1991-03-20 EP disclosed