SCHEMBL31461685

SCHEMBL31461685

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALPL P05186 1/20 0.40
GAA P10253 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HTT P42858 4/20 0.39
HPGD P15428 3/20 0.39
OPRM1 P35372 1/20 0.38
MAPK1 P28482 1/20 0.36
EIF4E P06730 1/20 0.36
HCN1 O60741 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 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 0.87 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALPLHTTHPGD
SCHEMBL31461684 0.87 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALPLHTTHPGD
SCHEMBL23623280 0.85 ALOX15 (0.47) ALPLGAAADORA2AADORA1HPGD
SCHEMBL31461708 0.85 OPRM1 (0.41) KDM4EADORA2AADORA1HPGDOPRM1
SCHEMBL23623443 0.83 HPGD (0.45) KDM4EADORA2AADORA1HPGDOPRM1
SCHEMBL31461680 0.81 ALOX15 (0.42) KDM4EADORA2AADORA1OPRM1HCN1
SCHEMBL23623256 0.80 OPRM1 (0.39) ADORA2AADORA1OPRM1HCN1MAPT
SCHEMBL31461698 0.80 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EALPLHTTHPGD
SCHEMBL23611716 0.79 KCNK3 (0.45) SMN1; SMN2ADORA2AADORA1HTTHPGD
SCHEMBL29930594 0.79 KCNK3 (0.45) SMN1; SMN2ADORA2AADORA1HTTHPGD

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