SCHEMBL9848986

SCHEMBL9848986

CCOC(=O)c1cccc2[nH]cc(CC3=C(OC)[N+]([O-])=C(CC(C)C)C[N+]3=O)c12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CLEC4M Q9H2X3 1/20 0.32
HTR2A P28223 1/20 0.32
MMP2 P08253 2/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
PKM P14618 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL9026863 0.73 CLEC4M (0.34) LMNAMAPTCLEC4MMMP2MMP3
SCHEMBL9026324 0.70 JAK2 (0.36) LMNAMAPTMMP2MMP3
SCHEMBL27257386 0.69 JAK2 (0.39) LMNAMAPTHTR2A
SCHEMBL10642478 0.66 HTR2C (0.55) MTNR1AMTNR1BCLEC4MHTR2APKM
SCHEMBL15836985 0.65 TSHR (0.54) MAPTCLEC4MPKM
SCHEMBL9418838 0.64 SMN1; SMN2 (0.52) MAPTMTNR1AMTNR1BCLEC4MHTR2A
SCHEMBL16686899 0.63 NR4A2 (0.58) LMNAMAPTMTNR1AMTNR1BHTR2A
SCHEMBL10930498 0.62 NR4A2 (0.51) LMNAMAPTMTNR1AMTNR1BCLEC4M
SCHEMBL9026483 0.62 KDM4E (0.33) LMNAMAPTMTNR1AMTNR1BHTR2A
SCHEMBL28445014 0.61 NR4A2 (0.52) LMNAMAPTMTNR1AMTNR1BHTR2A

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
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed