SCHEMBL9486706

SCHEMBL9486706

CCCCN(CCCC)CCCOc1ccc(C(=O)c2c(-c3ccccc3)n(C)c3ccc([N+](=O)[O-])cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.47
PLA2G4A P47712 1/20 0.46
F2RL3 Q96RI0 4/20 0.45
BCHE P06276 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
F2R P25116 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL9486713 0.85 OXER1 (0.46) PLA2G4ATP53
Hydrochloric Acid SCHEMBL9486579 0.85 BCHE (0.46) BCHE
Hydrochloric Acid SCHEMBL9485980 0.85 OXER1 (0.45) PLA2G4ATP53
SCHEMBL9486261 0.82 ESR1 (0.60)
SCHEMBL9486220 0.81 SLC2A1 (0.62) BCHE
SCHEMBL9487366 0.78 PLA2G4A (0.47) PLA2G4AMAPT
SCHEMBL9486866 0.76 ESR1 (0.63)
SCHEMBL9486082 0.76 HTT (0.60) LMNA
SCHEMBL9485983 0.76 OXER1 (0.50) PLA2G4AF2RL3MEN1KMT2AMAPT
SCHEMBL9485985 0.75 ESR1 (0.59)

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-5223510-A ALKYLAMINOALKYL DERIVATIVES OF BENZOFURAN, BENZOTHIOPHENE, INDOLE AND INDOLIZINE, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANOFI (FR) 1993-06-29 US disclosed