SCHEMBL29096567

SCHEMBL29096567

CCC(=Cc1cc(F)ccc1O)[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.39
ABL1 P00519 1/20 0.39
ABL2 P42684 1/20 0.39
FBP1 P09467 3/20 0.38
AR P10275 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ERN1 O75460 1/20 0.37
PTGS1 P23219 2/20 0.35
POLB P06746 1/20 0.35
PTGS2 P35354 1/20 0.35
TTR P02766 1/20 0.35
MAOB P27338 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNMA1 Q12791 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
SCHEMBL29096566 1.00 EGFR (0.39) EGFRABL1ABL2FBP1AR
SCHEMBL29096554 0.83 MAPT (0.41) EGFRABL1ABL2KDM4EMAPT
SCHEMBL29096555 0.83 MAPT (0.41) EGFRABL1ABL2KDM4EMAPT
SCHEMBL29096564 0.82 HCAR3 (0.45) KDM4EMAPTHTTERN1POLB
SCHEMBL29096543 0.82 ERN1 (0.59) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL29096559 0.82 ERN1 (0.49) EGFRABL1ABL2FBP1KDM4E
SCHEMBL29096540 0.82 ERN1 (0.59) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL29096570 0.82 ERN1 (0.49) EGFRABL1ABL2ARKDM4E
SCHEMBL29096558 0.82 ERN1 (0.49) EGFRABL1ABL2FBP1KDM4E
SCHEMBL29096568 0.82 ERN1 (0.49) EGFRABL1ABL2ARKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116693552-A Polycyclic dihydrobenzofuran compound and preparation method thereof 浙江大学 2023-09-05 CN disclosed