SCHEMBL31461684

SCHEMBL31461684

O=C(NCc1n[nH]c(-c2ccccc2[N+](=O)[O-])n1)c1ccccc1OC(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 1/20 0.42
ALPL P05186 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 4/20 0.39
HPGD P15428 3/20 0.39
MAPK1 P28482 1/20 0.36
EIF4E P06730 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CTSD P07339 1/20 0.35
THRB P10828 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
SCHEMBL31461683 1.00 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALPLNPC1RAB9A
SCHEMBL31461698 0.92 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EALPLNPC1RAB9A
SCHEMBL31461685 0.87 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALPLNPC1RAB9A
SCHEMBL23611718 0.85 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALPLNPC1RAB9A
SCHEMBL23611755 0.85 ALOX15 (0.47) SMN1; SMN2ALPLNPC1RAB9AHPGD
SCHEMBL31461669 0.85 HDAC3 (0.46) SMN1; SMN2KDM4EALPLNPC1RAB9A
SCHEMBL29930729 0.85 ALOX15 (0.47) SMN1; SMN2ALPLNPC1RAB9AHPGD
SCHEMBL23611751 0.83 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALPLNPC1RAB9A
SCHEMBL23623437 0.83 HPGD (0.45) SMN1; SMN2KDM4ENPC1RAB9AHPGD
SCHEMBL31461660 0.82 HPGD (0.43) SMN1; SMN2KDM4EALPLNPC1RAB9A

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