SCHEMBL9486158

SCHEMBL9486158

COc1ccc(C(=O)c2coc3ccc(C(C)C[N+](=O)[O-])cc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.60
MAPT P10636 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
KMT2A Q03164 6/20 0.56
RAB9A P51151 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 3/20 0.49
MAPK1 P28482 3/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 3/20 0.45
SIRT1 Q96EB6 1/20 0.45
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL12487642 0.80 NPC1 (0.68) NPC1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL18012070 0.79 NPC1 (0.85) NPC1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL289081 0.76 NPC1 (1.00) NPC1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL1984774 0.74 SERPINH1 (0.54) MAPTSMN1; SMN2KMT2ARAB9AL3MBTL1
SCHEMBL17470177 0.74 SERPINH1 (0.54) MAPTSMN1; SMN2KMT2ARAB9AL3MBTL1
SCHEMBL17997090 0.73 NPC1 (0.73) NPC1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL17997089 0.73 NPC1 (0.77) NPC1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL16541098 0.72 RAB9A (1.00) NPC1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL588963 0.72 KMT2A (0.71) NPC1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL12325869 0.71 NPC1 (0.74) NPC1MAPTSMN1; SMN2KMT2ARAB9A

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