SCHEMBL30167547

SCHEMBL30167547

[C-]#[N+]c1c(C)cc(C(=O)NC)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TAS1R3 Q7RTX0 3/20 0.35
▸ TAS1R1 Q7RTX1 3/20 0.35
▸ TAS1R2 Q8TE23 3/20 0.35
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL1004036 0.75 HPGD (0.47) ALDH1A1HPGDHDAC8HDAC6HDAC2
SCHEMBL23973915 0.75 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EGAATAS1R3
SCHEMBL6364562 0.72 HDAC6 (0.48) ALDH1A1HPGDHDAC8HDAC6HDAC2
SCHEMBL23973914 0.71 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EGAATAS1R3
SCHEMBL11959873 0.70 TAS1R3 (0.59) HPGDKDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL8918916 0.70 NPC1 (0.54) ALDH1A1HPGDKDM4EGAAHDAC8
SCHEMBL23973916 0.70 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EGAATAS1R3
SCHEMBL30167527 0.70 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EGAATAS1R3
SCHEMBL22423979 0.70 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EGAAHDAC8
SCHEMBL11805004 0.69 RAPGEF4 (0.39) ALDH1A1HPGDTSHRHTT

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-115803322-B SARS-COV-2 inhibitors with covalent modifications for treatment of coronavirus infection 英矽智能科技知识产权有限公司 2025-05-13 — — CN disclosed
CN-115803322-A SARS-COV-2 inhibitors with covalent modification for the treatment of coronavirus infection 英矽智能科技知识产权有限公司 2023-03-14 — — CN disclosed
EP-4143176-A1 SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS Insilico Medicine IP Limited (HK) 2023-03-08 — — EP disclosed
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