SCHEMBL26128015

SCHEMBL26128015

Nc1cc(F)c(NC(=O)O)cc1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.37
HDAC1 Q13547 4/20 0.36
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC2 Q92769 2/20 0.31
HDAC3 O15379 1/20 0.31
MAPK1 P28482 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
EGFR P00533 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL15389884 0.80 ERN1 (0.37) ERN1ALDH1A1CYP2C19EGFRMEN1
SCHEMBL26129255 0.80 CFTR (0.35) ERN1HDAC1ALDH1A1CYP2C19HDAC2
SCHEMBL26405293 0.78 CYP17A1 (0.41) HDAC1HDAC2CA1CA12CA9
SCHEMBL14354412 0.77 HDAC1 (0.40) HDAC1ALDH1A1CYP2C19HDAC2HDAC3
SCHEMBL26617759 0.77 ERN1 (0.42) ERN1ALDH1A1CYP2C19NPC1RAB9A
SCHEMBL26131564 0.76 KDM4E (0.43) ERN1ALDH1A1KDM4EMEN1GAA
SCHEMBL3197190 0.75 ERN1 (0.41) ERN1ALDH1A1CA1CA2CA12
SCHEMBL26129215 0.75 ALDH1A1 (0.42) ERN1ALDH1A1CYP2C19KDM4EMEN1
SCHEMBL2849268 0.72 GAA (0.38) HDAC1MEN1GAAKMT2ANPC1
SCHEMBL18797540 0.72 NPC1 (0.42) HDAC1ALDH1A1CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024082051-A1 ANTIBODY-DRUG CONJUGATES TARGETING GLYPICAN-3 AND METHODS OF USE ZYMEWORKS BC INC. (CA) 2024-04-25 WO disclosed
WO-2024082055-A1 ANTIBODY-DRUG CONJUGATES TARGETING NAPI2B AND METHODS OF USE ZYMEWORKS BC INC. (CA) 2024-04-25 WO disclosed
EP-4347601-A1 CAMPTOTHECIN ANALOGUES, CONJUGATES AND METHODS OF USE Zymeworks BC Inc. (CA) 2024-04-10 EP disclosed
WO-2023178452-A1 ANTIBODY-DRUG CONJUGATES TARGETING FOLATE RECEPTOR ALPHA AND METHODS OF USE ZYMEWORKS BC INC. (CA) 2023-09-28 WO disclosed