SCHEMBL31461698

SCHEMBL31461698

O=C(NCc1n[nH]c(-c2ccccc2[N+](=O)[O-])n1)c1cc(F)ccc1OC(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 1/20 0.38
ALPL P05186 1/20 0.38
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 3/20 0.36
MAPK1 P28482 2/20 0.36
EIF4E P06730 3/20 0.36
NTRK1 P04629 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HCRTR1 O43613 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL31461684 0.92 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALPLMAPTHTT
SCHEMBL31461683 0.92 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALPLMAPTHTT
SCHEMBL31461657 0.86 HDAC3 (0.39) SMN1; SMN2KDM4EMAPTALDH1A1HTT
SCHEMBL23611738 0.86 ALOX15 (0.44) ALPLMAPTALDH1A1MAPK1NTRK1
SCHEMBL23611767 0.82 TP53 (0.42) SMN1; SMN2MAPTNTRK1HPGDLMNA
SCHEMBL23623267 0.81 TP53 (0.42) SMN1; SMN2MAPTALDH1A1HTTMAPK1
SCHEMBL23623626 0.81 SMN1; SMN2 (0.40) SMN1; SMN2MAPTALDH1A1HTTMAPK1
SCHEMBL31461685 0.80 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALPLMAPTHTT
SCHEMBL23611718 0.78 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALPLMAPTALDH1A1
SCHEMBL23611755 0.77 ALOX15 (0.47) SMN1; SMN2ALPLMAPTALDH1A1HPGD

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