SCHEMBL26129255

SCHEMBL26129255

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 6/20 0.35
ERN1 O75460 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC2 Q92769 1/20 0.32
MAOB P27338 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL26405752 0.81 LMNA (0.44) CFTRAR
SCHEMBL26128015 0.80 ERN1 (0.37) ERN1HDAC1HDAC6ALDH1A1CYP2C19
SCHEMBL27615838 0.78 CFTR (0.35) CFTRHDAC1ALDH1A1HDAC2MAOB
SCHEMBL26131350 0.77 ALDH1A1 (0.42) ERN1ALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL31422943 0.73 KIF11 (0.43) CFTRERN1TSHRCA12CA1
SCHEMBL17336740 0.73 CFTR (0.41) CFTRALDH1A1TSHRHDAC2CA12
SCHEMBL22637106 0.73 HDAC1 (0.39) CFTRHDAC1ALDH1A1HDAC2CA12
SCHEMBL26131564 0.73 KDM4E (0.43) ERN1ALDH1A1TSHRKDM4E
SCHEMBL22636593 0.72 KDR (0.44) CFTRHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL4957900 0.71 POLB (0.48) ALDH1A1TSHRCYP1A2CYP2D6CYP2C19

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-2024082055-A1 ANTIBODY-DRUG CONJUGATES TARGETING NAPI2B AND METHODS OF USE ZYMEWORKS BC INC. (CA) 2024-04-25 WO disclosed
WO-2024082051-A1 ANTIBODY-DRUG CONJUGATES TARGETING GLYPICAN-3 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