SCHEMBL9737225

SCHEMBL9737225

O=[C][C@@H]1CCCN1Sc1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
PDE7A Q13946 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4A O75164 1/20 0.37
TDP2 O95551 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CRBN Q96SW2 1/20 0.37
HTT P42858 1/20 0.36
ACHE P22303 2/20 0.36

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
SCHEMBL6763215 0.88 MAPT (0.48) MAPTPKMALDH1A1MAPK1TDP1
SCHEMBL5346805 0.88 MAPT (0.48) MAPTPKMALDH1A1MAPK1TDP1
SCHEMBL2905551 0.79 SMN1; SMN2 (0.51) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL11336172 0.79 SMN1; SMN2 (0.51) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL5350233 0.79 MAPT (0.49) MAPTPKMALDH1A1MAPK1TDP1
SCHEMBL19917852 0.73 MAPT (0.54) MAPTPKMALDH1A1MAPK1TDP1
SCHEMBL18581317 0.72 MAPT (0.74) MAPTPKMALDH1A1MAPK1TDP1
SCHEMBL2899745 0.72 ALDH1A1 (0.47) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL2899744 0.72 ALDH1A1 (0.47) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL5347343 0.71 MAPT (0.41) MAPTPKMALDH1A1CA12CA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104985-A Rearrangement in the presence of an alkali metal bis (tris-lower alkyl silyl)amide HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-04-14 US disclosed
US-4963537-A REDUCE INTRAOCULAR PRESSURE HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-10-16 US disclosed
US-4851397-A LOWERING INTRAOCULAR PRESSURE HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1989-07-25 US disclosed
US-4677103-A REDUCING INTRAOCULAR PRESSURE HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-06-30 US disclosed
US-4639443-A INTRAOCULAR PRESSURE REDUCTION HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-01-27 US disclosed