SCHEMBL31416631

SCHEMBL31416631

CCc1nc(C(F)(F)F)ncc1N

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
TKT P29401 1/20 0.35
CFTR P13569 1/20 0.33
KDM4E B2RXH2 1/20 0.32
JUN P05412 3/20 0.32
NFKB1 P19838 3/20 0.32
NFKB2 Q00653 3/20 0.32
RELA Q04206 3/20 0.32
FOS P01100 2/20 0.32

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
SCHEMBL10185152 0.83 NUDT1 (0.32)
SCHEMBL16248176 0.78 JUN (0.35) HEXAHEXBTKTJUNNFKB1
SCHEMBL31416682 0.78 JUN (0.32) HEXAHEXBJUNNFKB1NFKB2
SCHEMBL14533192 0.76 TRPV3 (0.33) JUNNFKB1NFKB2RELAFOS
Formamide SCHEMBL28472309 0.76 TKT (0.34) HEXAHEXBTKTJUNNFKB1
SCHEMBL25368592 0.75 TKT (0.37) TKTKDM4EJUNNFKB1NFKB2
SCHEMBL31554943 0.75 TKT (0.37) TKTKDM4EJUNNFKB1NFKB2
SCHEMBL10399566 0.74 NUDT1 (0.43) HEXAHEXB
SCHEMBL3646248 0.74 TKT (0.38) TKT
SCHEMBL14809757 0.73 GABRP (0.45) KDM4EJUNNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049275-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2025-03-06 WO disclosed
WO-2025043148-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2025-02-27 WO disclosed