SCHEMBL29954776

SCHEMBL29954776

Cc1cccc(B(O)O)c1OC(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
SCN4A P35499 9/20 0.39
LMNA P02545 2/20 0.39
SCN1A P35498 2/20 0.39
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
NFKB1 P19838 2/20 0.39
CYP2C9 P11712 1/20 0.39
KCNK3 O14649 1/20 0.39
CACNA1F O60840 1/20 0.39
KCNK2 O95069 1/20 0.39
GBA1 P04062 1/20 0.39
MAOA P21397 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL9688509 0.83 SCN4A (0.42) ATMSCN4ALMNASCN1ASCN5A
SCHEMBL29950828 0.83 SCN9A (0.36) ATMSCN9ASLC6A4ALDH1A1ENPP2
SCHEMBL900047 0.76 ACHE (0.44) ATMSCN4ALMNASCN1ASCN5A
SCHEMBL2944532 0.75 ENPP2 (0.50) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL29458390 0.75 ENPP2 (0.50) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL900180 0.74 KDM4E (0.44) ATMSCN4ALMNASCN1ASCN5A
SCHEMBL5733263 0.74 ALDH1A1 (0.43) ATMSCN4ALMNASCN1ASCN5A
SCHEMBL18124516 0.74 TSHR (0.48) ATMSCN4ALMNASCN1ASCN5A
SCHEMBL12433432 0.74 MEN1 (0.36) ATMSCN4ALMNASCN1ASCN5A
SCHEMBL29951597 0.73 SCN8A (0.41) ATMSCN4ALMNASCN1ASCN5A

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed