SCHEMBL23093075

SCHEMBL23093075

COCCc1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
PTGES O14684 1/20 0.45
TSHR P16473 2/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
AR P10275 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL28175962 0.83 MAPT (0.52) MAPTPTGESTSHRLMNAPOLB
SCHEMBL5716636 0.82 MAPT (0.42) MAPTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL21412681 0.81 MAPT (0.50) MAPTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL5716652 0.80 TSHR (0.53) MAPTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL27791672 0.80 MAPT (0.49) MAPTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL16654106 0.79 TSHR (0.51) MAPTPTGESTSHRSMN1; SMN2LMNA
SCHEMBL16654573 0.79 PTGES (0.56) MAPTPTGESLMNAMEN1KMT2A
SCHEMBL28433503 0.78 MAPT (0.50) MAPTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL18138464 0.78 MAPT (0.53) MAPTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL13344094 0.78 MAPT (0.53) MAPTTSHRRAB9ANPC1SMN1; SMN2

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-2021050547-A1 MITOCHONDRIAL COMPLEX I INHIBITORS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-03-18 WO disclosed