SCHEMBL24969077

SCHEMBL24969077

C=CC(=O)Nc1ccc(OCc2cccc(F)c2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.58
ERBB2 P04626 4/20 0.58
ERBB4 Q15303 1/20 0.58
ITK Q08881 1/20 0.53
CTSV O60911 2/20 0.48
CTSL P07711 2/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
PABPC1 P11940 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SRC P12931 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL24968811 0.88 EGFR (0.59) EGFRERBB2ERBB4KDM4E
SCHEMBL24969094 0.88 EGFR (0.61) EGFRERBB2ERBB4ITK
SCHEMBL24968809 0.86 EGFR (0.75) EGFRERBB2ERBB4HDAC3HDAC4
SCHEMBL24969076 0.84 EGFR (0.57) EGFRERBB2ERBB4
SCHEMBL4333127 0.83 TSHR (0.51) EGFRERBB2ERBB4CTSVCTSL
SCHEMBL30152371 0.83 EGFR (0.56) EGFRERBB2ERBB4
SCHEMBL24968448 0.83 EGFR (0.56) EGFRERBB2ERBB4
SCHEMBL4337607 0.83 TSHR (0.53) EGFRERBB2ERBB4CTSVCTSL
SCHEMBL24969080 0.82 EGFR (0.56) EGFRERBB2ERBB4
SCHEMBL30152362 0.82 EGFR (0.56) EGFRERBB2ERBB4

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
WO-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed
WO-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed