SCHEMBL31461674

SCHEMBL31461674

NNC(=O)CNC(=O)c1ccccc1OC(F)F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CTSD P07339 1/20 0.48
ALDH1A1 P00352 6/20 0.46
HTT P42858 5/20 0.46
LMNA P02545 5/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALPL P05186 1/20 0.44
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL29646356 0.87 CTSD (0.62) HDAC3HDAC1SMN1; SMN2NPC1RAB9A
SCHEMBL22987538 0.87 CTSD (0.62) HDAC3HDAC1SMN1; SMN2NPC1RAB9A
SCHEMBL31461706 0.81 CTSD (0.73) NPC1RAB9ACTSDALDH1A1LMNA
SCHEMBL23611756 0.76 SMN1; SMN2 (0.55) HDAC3HDAC1SMN1; SMN2NPC1RAB9A
SCHEMBL24862994 0.75 HPGD (0.52) HDAC3HDAC1SMN1; SMN2RAB9AHTT
SCHEMBL1655461 0.74 SMN1; SMN2 (0.56) HDAC3HDAC1SMN1; SMN2NPC1RAB9A
SCHEMBL17206370 0.72 SMN1; SMN2 (0.51) HDAC3HDAC1SMN1; SMN2NPC1RAB9A
SCHEMBL1655964 0.72 IRAK4 (0.68) SMN1; SMN2NPC1RAB9AALDH1A1HTT
SCHEMBL11212937 0.71 HTT (0.49) SMN1; SMN2NPC1RAB9AALDH1A1HTT
SCHEMBL2104535 0.71 IRAK4 (0.67) SMN1; SMN2CTSDALDH1A1LMNAKDM4E

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-2025024543-A1 TRICYCLIC UBE2K MODULATORS AND METHODS FOR THEIR USE BPGBIO, INC. (US) 2025-01-30 WO disclosed