SCHEMBL24580574

SCHEMBL24580574

BC(B)(Nc1ncccc1[N+](=O)[O-])c1cc(OC)c2c(c1)OC(C)CO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 7/20 0.39
NPC1 O15118 5/20 0.39
MAPT P10636 5/20 0.39
PKM P14618 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RAB9A P51151 3/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
LMNA P02545 2/20 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
SCHEMBL24579434 0.85 ADRA1D (0.31) NPC1RAB9ASMN1; SMN2
SCHEMBL24576409 0.80 CSF1R (0.48) MEN1KMT2AL3MBTL1ALDH1A1NPC1
SCHEMBL24579545 0.71 CSF1R (0.42)
SCHEMBL24580449 0.71 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2GAACYP3A4
SCHEMBL24580297 0.69 MAOA (0.33) L3MBTL1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL24576230 0.64 CSF1R (0.51)
SCHEMBL2464563 0.63 MEN1 (1.00) MEN1KMT2AL3MBTL1ALDH1A1NPC1
SCHEMBL986085 0.62 MEN1 (0.52) MEN1KMT2AL3MBTL1ALDH1A1NPC1
SCHEMBL30951385 0.60 MEN1 (0.46) MEN1KMT2AL3MBTL1ALDH1A1NPC1
SCHEMBL13998649 0.60 ADRA1D (0.50) MEN1KMT2AALDH1A1MAPK1CYP1A2

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-2022140528-A1 DEUTERATED COLONY STIMULATING FACTOR-1 RECEPTOR (CSF-1R) INHIBITORS GENZYME CORPORATION (US) 2022-06-30 WO disclosed