SCHEMBL31461664

SCHEMBL31461664

O=C(NCc1cc(-c2ccccc2[N+](=O)[O-])nn1C1CCCCO1)c1ccccc1OC(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGFR P00533 2/20 0.37
BTK Q06187 2/20 0.37
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HCRTR1 O43613 1/20 0.34
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
EIF4E P06730 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL31461730 0.78 RAB9A (0.36) ALDH1A1L3MBTL1SMN1; SMN2PDE4BHPGD
SCHEMBL31461656 0.76 MAOB (0.35) ALDH1A1L3MBTL1SMN1; SMN2HPGDMEN1
SCHEMBL31461692 0.73 MAOB (0.32) ALDH1A1SMN1; SMN2PDE4BHPGDMEN1
SCHEMBL31461713 0.71 TDP1 (0.40) ALDH1A1L3MBTL1SMN1; SMN2KMT2APOLB
SCHEMBL31461660 0.70 HPGD (0.43) ALDH1A1SMN1; SMN2HTTHPGDMEN1
SCHEMBL31461683 0.68 SMN1; SMN2 (0.42) SMN1; SMN2HTTHPGDKDM4EMAPT
SCHEMBL31461684 0.68 SMN1; SMN2 (0.42) SMN1; SMN2HTTHPGDKDM4EMAPT
SCHEMBL23645175 0.66 EGFR (0.45) EGFRBTKNPC1RAB9A
SCHEMBL23623281 0.65 EGFR (0.43) EGFRBTKNPC1RAB9A
SCHEMBL31571970 0.65 EGFR (0.52) EGFRBTKHPGDPOLB

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