SCHEMBL8570303

SCHEMBL8570303

O=C(O)[C@@H]1CCCc2c1cccc2[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
GPR35 Q9HC97 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NR4A1 P22736 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8564044 1.00 MEN1 (0.42) MEN1KMT2AGPR35TDP1L3MBTL1
SCHEMBL7220671 0.91 NR4A1 (0.41) MEN1KMT2AGPR35TDP1L3MBTL1
SCHEMBL13070165 0.83 SMN1; SMN2 (0.41) MEN1KMT2AGPR35TDP1L3MBTL1
SCHEMBL13350187 0.81 SMN1; SMN2 (0.40) MEN1KMT2AGPR35TDP1L3MBTL1
SCHEMBL13299590 0.81 SMN1; SMN2 (0.40) MEN1KMT2AGPR35TDP1L3MBTL1
SCHEMBL18339812 0.81 KMT2A (0.45) MEN1KMT2AGPR35TDP1SMN1; SMN2
SCHEMBL8516525 0.80 KMT2A (0.56) MEN1KMT2ATDP1L3MBTL1KDM4E
SCHEMBL13010111 0.79 SMN1; SMN2 (0.38) MEN1KMT2AGPR35TDP1SMN1; SMN2
SCHEMBL2215346 0.78 MAPT (0.41) MEN1KMT2AGPR35TDP1SMN1; SMN2
SCHEMBL5333511 0.78 MAPT (0.41) MEN1KMT2AGPR35TDP1SMN1; 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
US-5750567-A TETRAHYDRONAPHTHYL DERIVATIVES PHONE-POULENC RORER SA. (FR) 1998-05-12 US disclosed