SCHEMBL29538020

SCHEMBL29538020

N#CC(=Cc1ccc(F)c(Cl)c1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.59
▸ KDM4E B2RXH2 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ CISD1 Q9NZ45 1/20 0.55
▸ SLC16A3 O15427 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ SLC16A1 P53985 1/20 0.55
▸ GPR35 Q9HC97 1/20 0.55
▸ POLB P06746 2/20 0.48
▸ PKM P14618 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL28791203 1.00 EGFR (0.59) EGFRKDM4EALDH1A1CISD1SLC16A3
SCHEMBL20603132 0.86 EGFR (0.64) EGFRKDM4EALDH1A1CISD1SLC16A3
SCHEMBL4904127 0.86 EGFR (0.64) EGFRKDM4EALDH1A1CISD1SLC16A3
SCHEMBL4904140 0.86 EGFR (0.64) EGFRKDM4EALDH1A1CISD1SLC16A3
SCHEMBL30379853 0.86 EGFR (0.64) EGFRKDM4EALDH1A1CISD1SLC16A3
SCHEMBL23532040 0.80 EGFR (0.71) EGFRKDM4EALDH1A1CISD1SLC16A3
SCHEMBL1791408 0.80 EGFR (0.71) EGFRKDM4EALDH1A1CISD1SLC16A3
SCHEMBL1791407 0.80 EGFR (0.71) EGFRKDM4EALDH1A1CISD1SLC16A3
SCHEMBL20603136 0.79 EGFR (0.56) EGFRKDM4EALDH1A1CISD1SLC16A3
SCHEMBL30379788 0.79 EGFR (0.56) EGFRKDM4EALDH1A1CISD1SLC16A3

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-114507158-B Pleuromutilin alpha-cyano cinnamic acid ester compounds with drug-resistant bacteria resisting activity and preparation method and application thereof 广东医科大学附属医院 2023-04-28 — — CN disclosed
CN-114507158-A Pleuromutilin alpha-cyano cinnamate compounds with drug-resistant bacterium resisting activity and preparation method and application thereof 广东医科大学附属医院 2022-05-17 — — CN disclosed
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