SCHEMBL8986535

SCHEMBL8986535

C/C(=C\c1cn(C2CCCC2)c2ccccc12)[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 6/20 0.42
GAA P10253 4/20 0.42
HPGD P15428 3/20 0.42
FBP1 P09467 1/20 0.41
OPRM1 P35372 3/20 0.40
OPRL1 P41146 3/20 0.40
OPRD1 P41143 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 1/20 0.34
OPRK1 P41145 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR6 P50406 4/20 0.34
POLB P06746 1/20 0.34
PRKCG P05129 1/20 0.33
PRKCB P05771 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
SCHEMBL8758334 1.00 KDM4E (0.45) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL8986564 0.80 MAPT (0.53) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL8758281 0.80 MAPT (0.53) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL8416379 0.78 KMT2A (0.64) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL8416381 0.78 KMT2A (0.64) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL27683596 0.77 MAPT (0.48) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL1786483 0.76 KDM4E (0.52) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL797091 0.74 MAPT (0.50) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL797092 0.74 MAPT (0.50) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL807793 0.74 MAPT (0.50) MEN1KMT2AMAPTALDH1A1GAA

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
US-5480983-A ANALGESICS, HYPOTENSIVE AGENTS LABORATOIRES UPSA (FR) 1996-01-02 US disclosed