SCHEMBL28611237

SCHEMBL28611237

N#CC(Cc1ccccc1)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.42
CTSL P07711 1/20 0.40
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR1 P32246 1/20 0.37
POLB P06746 1/20 0.37
SLC5A2 P31639 1/20 0.36
MAOB P27338 1/20 0.36
EPHX1 P07099 1/20 0.35

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
SCHEMBL31331749 0.78 MGAM (0.51) CTSCALDH1A1MEN1CYP3A4KMT2A
SCHEMBL10652117 0.77 CCR1 (0.39) CTSCALDH1A1MEN1KMT2ACCR1
SCHEMBL9521376 0.75 FFAR1 (0.45) CTSCALDH1A1MEN1CYP2C19KMT2A
SCHEMBL3906596 0.74 SLC5A2 (0.52) ALDH1A1CYP1A2CYP2C19KMT2ASLC5A2
SCHEMBL5229338 0.74 CCR1 (0.45) ESR1ESR2ALDH1A1MEN1CYP1A2
SCHEMBL56063 0.74 ESR2 (0.60) CTSCESR1ESR2ALDH1A1MEN1
SCHEMBL20902948 0.73 KDM4E (0.35) CTSCALDH1A1CCR1
SCHEMBL3289195 0.73 EPHX1 (0.48) CTSCCYP1A2EPHX1
SCHEMBL30846601 0.73 EPHX1 (0.48) CTSCCYP1A2EPHX1
SCHEMBL30846613 0.73 EPHX1 (0.48) CTSCCYP1A2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115724891-B Mn-L manganese complex and preparation method and application thereof 浙江工业大学 2025-03-04 CN disclosed
CN-113713858-B Alpha alkylation reaction catalyst of nitrile and preparation method thereof 郑州大学 2023-06-23 CN disclosed
CN-113559939-B Alpha alkylation reaction catalyst of nitrile and preparation method thereof 郑州大学 2023-06-23 CN disclosed
CN-115724891-A Manganese complex Mn-L and preparation method and application thereof 浙江工业大学 2023-03-03 CN disclosed
CN-113713858-A Alpha alkylation reaction catalyst of nitrile and preparation method thereof 郑州大学 2021-11-30 CN disclosed
CN-113559939-A Alpha alkylation reaction catalyst for nitrile and preparation method thereof 郑州大学 2021-10-29 CN disclosed
CN-110026244-B Alpha alkylation reaction catalyst of nitrile and application thereof 郑州大学 2021-06-18 CN disclosed