SCHEMBL31416632

SCHEMBL31416632

CCc1nc(C(F)(F)F)nc(Br)c1N

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
HTT P42858 1/20 0.30

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
SCHEMBL27346777 0.80 TSHR (0.36) HTT
SCHEMBL31416676 0.79 HEXA (0.34) HEXAHEXB
SCHEMBL31467626 0.72 HTT (0.34) HTT
SCHEMBL20681183 0.70 TSHR (0.33) HTT
SCHEMBL25252723 0.68 HSP90AA1 (0.41) HEXAHEXB
SCHEMBL31416631 0.67 HEXA (0.36) HEXAHEXB
SCHEMBL31416682 0.67 JUN (0.32) HEXAHEXBHTT
SCHEMBL3062694 0.63 HSP90AA1 (0.43) HEXAHEXB
Formamide SCHEMBL28472309 0.62 TKT (0.34) HEXAHEXB
SCHEMBL21766264 0.62 TLR7 (0.33)

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