SCHEMBL29951597

SCHEMBL29951597

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 4/20 0.41
AR P10275 1/20 0.36
ENPP2 Q13822 1/20 0.35
SCN4A P35499 4/20 0.35
LMNA P02545 2/20 0.35
SCN1A P35498 2/20 0.35
SCN5A Q14524 2/20 0.35
SCN9A Q15858 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
KCNK3 O14649 1/20 0.35
CACNA1F O60840 1/20 0.35
KCNK2 O95069 1/20 0.35
GBA1 P04062 1/20 0.35
MAOA P21397 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL16707502 0.83 SCN8A (0.44) SCN8AARSCN4ALMNASCN1A
SCHEMBL29951567 0.83 CA1 (0.37) SCN8AENPP2LMNACYP3A4TRPA1
SCHEMBL2442618 0.81 TRPV1 (0.34) SCN8AENPP2
SCHEMBL29700387 0.81 TRPV1 (0.34) SCN8AENPP2
SCHEMBL29951401 0.80 ENPP2 (0.53) ARENPP2LMNATSHRCYP3A4
SCHEMBL24181283 0.78 TRPA1 (0.50) SCN8AARSCN4ALMNASCN1A
SCHEMBL29956737 0.77 ENPP2 (0.48) ENPP2LMNACYP3A4KCNK3ALDH1A1
SCHEMBL16961246 0.76 ACHE (0.44) SCN8AARSCN4ALMNASCN1A
SCHEMBL16952357 0.76 S1PR1 (0.40) SCN8AARSCN9AKCNK3SLC6A4
SCHEMBL16955011 0.76 SCN8A (0.38) SCN8AARSCN4ALMNASCN1A

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