SCHEMBL28428985

SCHEMBL28428985

C=Cc1ccc(N)c(N)c1S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.37
▸ DAPK1 P53355 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ TSHR P16473 2/20 0.32
▸ NT5E P21589 2/20 0.32
▸ SLC9A1 P19634 1/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ CASP1 P29466 2/20 0.32
▸ RECQL P46063 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALOX15 P16050 1/20 0.32

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
SCHEMBL18289495 0.82 TDP1 (0.46) TDP1ALDH1A1TSHRNT5ESLC9A1
SCHEMBL28469194 0.78 TTR (0.42) TDP1DAPK1ALDH1A1TSHRNT5E
SCHEMBL5181911 0.78 ALDH1A1 (0.41) TDP1DAPK1ALDH1A1TSHRNT5E
Propene SCHEMBL10797965 0.75 ALDH1A1 (0.37) TDP1DAPK1ALDH1A1TSHRNT5E
SCHEMBL157941 0.75 TRPA1 (0.40) DAPK1ALDH1A1RECQLMAPTSUMO2
(Z)-1,2-Diphenylethene SCHEMBL28122368 0.75 TRPA1 (0.40) DAPK1ALDH1A1RECQLMAPTSUMO2
SCHEMBL8164868 0.75 ALDH1A1 (0.46) TDP1DAPK1ALDH1A1TSHRNT5E
SCHEMBL2575387 0.75 SENP2 (0.38) TDP1DAPK1ALDH1A1TSHRNT5E
SCHEMBL1355486 0.74 TDP1 (0.43) TDP1DAPK1ALDH1A1TSHRSLC9A1
SCHEMBL2596490 0.74 AURKA (0.46) TDP1DAPK1ALDH1A1TSHRNT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111386340-B Detergent compositions comprising polypeptide variants 宝洁公司 2024-05-24 — — CN disclosed
CN-117683748-A Detergent compositions comprising polypeptide variants 宝洁公司 2024-03-12 — — CN disclosed
CN-111386340-A Detergent compositions comprising polypeptide variants 宝洁公司 2020-07-07 — — CN disclosed
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