SCHEMBL9486757

SCHEMBL9486757

CCCCc1c(C(=O)c2ccc(O)cc2)n(C)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
PKM P14618 1/20 0.42
LMNA P02545 3/20 0.41
PLA2G4A P47712 1/20 0.41
F2RL3 Q96RI0 3/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
CNR1 P21554 1/20 0.40
ACHE P22303 1/20 0.40
CNR2 P34972 1/20 0.40
F2R P25116 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EIF4A1 P60842 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL9486871 0.89 MAPT (0.53) MAPTPKMLMNAPLA2G4ATP53
SCHEMBL9486236 0.84 OXER1 (0.53) MAPTLMNAF2RL3TP53MEN1
SCHEMBL9487366 0.80 PLA2G4A (0.47) MAPTPLA2G4A
SCHEMBL9486042 0.76 LMNA (0.41) MAPTLMNAMEN1KMT2AHTT
SCHEMBL9487166 0.76 ALDH1A1 (0.51) MAPTPKMLMNAMEN1KMT2A
SCHEMBL9400698 0.74 MAPT (0.60) MAPTLMNAF2RL3MEN1KMT2A
SCHEMBL9485957 0.73 OXER1 (0.51) MAPTLMNAF2RL3TP53MEN1
SCHEMBL9400567 0.73 MAPT (0.67) MAPTLMNAPLA2G4AF2RL3TP53
SCHEMBL9486050 0.72 CNR2 (0.47) MAPTLMNAMEN1KMT2AHTT
SCHEMBL282873 0.72 EYA3 (0.65) LMNAHTT

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