SCHEMBL31461669

SCHEMBL31461669

Nc1ccccc1-c1nc(CNC(=O)c2ccccc2OC(F)F)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
RCE1 Q9Y256 1/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 3/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 3/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
MAPT P10636 1/20 0.35
ALPL P05186 1/20 0.35

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
SCHEMBL31461657 0.92 HDAC3 (0.39) HDAC3HDAC1SMN1; SMN2NPC1RAB9A
SCHEMBL23611718 0.89 SMN1; SMN2 (0.43) HDAC3HDAC1SMN1; SMN2NPC1RAB9A
SCHEMBL29930729 0.88 ALOX15 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL23611755 0.88 ALOX15 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL23623437 0.86 HPGD (0.45) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL23611751 0.86 SMN1; SMN2 (0.41) HDAC3HDAC1SMN1; SMN2NPC1RAB9A
SCHEMBL31461708 0.86 OPRM1 (0.41) ALDH1A1KDM4EHPGDRCE1
SCHEMBL31461684 0.85 SMN1; SMN2 (0.42) HDAC3HDAC1SMN1; SMN2NPC1RAB9A
SCHEMBL31461683 0.85 SMN1; SMN2 (0.42) HDAC3HDAC1SMN1; SMN2NPC1RAB9A
SCHEMBL23623626 0.83 SMN1; SMN2 (0.40) HDAC3HDAC1SMN1; SMN2NPC1RAB9A

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