SCHEMBL26066081

SCHEMBL26066081

O=S(=O)(c1ccc(C(F)(F)F)nc1C1CC1)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.42
CYP3A4 P08684 3/20 0.40
IKBKB O14920 2/20 0.40
PRKD3 O94806 2/20 0.40
PRKCG P05129 2/20 0.40
PRKCB P05771 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
PRKCA P17252 2/20 0.40
PRKACA P17612 2/20 0.40
PRKACG P22612 2/20 0.40
PRKACB P22694 2/20 0.40
PRKCH P24723 2/20 0.40
PRKCI P41743 2/20 0.40
PRKCE Q02156 2/20 0.40
PRKCQ Q04759 2/20 0.40
PRKCZ Q05513 2/20 0.40
PRKCD Q05655 2/20 0.40
PRKD1 Q15139 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL26065566 0.82 MAPT (0.47) MAPTPKMCYP3A4IKBKBPRKD3
SCHEMBL26065736 0.81 ALDH1A1 (0.48) MAPTPKMCYP3A4IKBKBPRKD3
SCHEMBL26065642 0.80 CYP3A4 (0.40) MAPTPKMCYP3A4PRKD3PRKCG
SCHEMBL26066093 0.79 MEN1 (0.41) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL26066147 0.78 KCNH2 (0.42) KDM4EALDH1A1KMT2AMEN1HTR1A
SCHEMBL26066077 0.78 TGM2 (0.49)
Trifluoroacetic Acid SCHEMBL25371821 0.77 TRPV4 (0.35) NR1I2BRS3
SCHEMBL26066067 0.77 KCNH2 (0.43) KCNH2
SCHEMBL26066097 0.77 MEN1 (0.40) KDM4EALDH1A1KMT2ALMNAMEN1
SCHEMBL25369101 0.76 TRPV1 (0.36)

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
WO-2023164063-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-08-31 WO disclosed