SCHEMBL26065720

SCHEMBL26065720

CCc1cc(C(F)(F)F)ncc1S(=O)(=O)N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.39
IDH1 O75874 1/20 0.39
BRD4 O60885 2/20 0.38
BRD2 P25440 2/20 0.38
BRD3 Q15059 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
PDK1 Q15118 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK3 Q15120 2/20 0.38
PDK4 Q16654 2/20 0.38
MAPT P10636 2/20 0.38
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL26065673 0.79 PSEN1 (0.40) ALDH1A1USP2CYP3A4TSHRNFKB1
SCHEMBL26065697 0.78 TGM2 (0.49) KDM4E
Trifluoroacetic Acid SCHEMBL25372185 0.77 TRPV4 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26065725 0.76 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26065730 0.76 CCR1 (0.36) ALDH1A1KMT2AALOX5APFEN1KDM4E
SCHEMBL25371610 0.74 DDR1 (0.36) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL25371575 0.72 RORC (0.42)
SCHEMBL26065566 0.71 MAPT (0.47) ALDH1A1USP2KMT2ACYP3A4TSHR
SCHEMBL26065736 0.70 ALDH1A1 (0.48) ALDH1A1USP2KMT2AIDH1BRD4
SCHEMBL25370604 0.70 ALOX5AP (0.34) ALOX5APFEN1PSEN1PSEN2APH1B

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