SCHEMBL29586802

SCHEMBL29586802

OCc1ccc(Br)c(CO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CASP6 P55212 1/20 0.39
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
CA1 P00915 1/20 0.35
SNCA P37840 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.34
ENPP2 Q13822 1/20 0.34
MAPT P10636 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL5936407 1.00 EGFR (0.39) EGFRKDM4ECASP6CA2CA12
SCHEMBL15720623 0.86 CYP1A2 (0.36) EGFRKDM4ECASP6SNCATSHR
SCHEMBL23647876 0.86 CA2 (0.33) EGFRKDM4ECASP6CA2CA12
SCHEMBL30844586 0.86 CYP1A2 (0.36) EGFRKDM4ECASP6SNCATSHR
SCHEMBL29790996 0.86 CA2 (0.33) EGFRKDM4ECASP6CA2CA12
SCHEMBL3484733 0.85 BACE1 (0.39) EGFRKDM4ECASP6CA2CA12
SCHEMBL21821384 0.85 KDM4E (0.38) EGFRKDM4ECASP6CA2CA12
SCHEMBL30808275 0.85 KDM4E (0.38) EGFRKDM4ECASP6CA2CA12
SCHEMBL20404242 0.85 TRPA1 (0.43) KDM4EMAPTSHBG
SCHEMBL3484223 0.81 CNR1 (0.37) CA2SNCAMAPTSLC6A2SLC6A4

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-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 CN disclosed
CN-114341103-B Aminoguanhydrazones as retrograde transport stabilizers useful in the treatment of neurological diseases 圣拉斐尔医院有限公司 2023-11-10 CN disclosed
CN-114341103-A Aminoguanidinohydrazones as reverse transporter stabilizers useful for the treatment of neurological disorders 圣拉斐尔医院有限公司 2022-04-12 CN disclosed