SCHEMBL5501407

SCHEMBL5501407

COc1ccccc1NCC=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.56
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
GAA P10253 2/20 0.44
RAB9A P51151 2/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 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
SCHEMBL8631283 0.81 CHRM2 (0.51) CHRM2MAPTSMN1; SMN2POLBL3MBTL1
SCHEMBL10723260 0.79 CHRM2 (0.49) CHRM2MAPTSMN1; SMN2POLBL3MBTL1
SCHEMBL5617538 0.79 CHRM2 (0.49) CHRM2MAPTSMN1; SMN2POLBL3MBTL1
SCHEMBL10632588 0.78 CHRM2 (0.59) CHRM2MAPTSMN1; SMN2POLBL3MBTL1
SCHEMBL11107820 0.77 CHRM2 (0.47) CHRM2MAPTSMN1; SMN2POLBL3MBTL1
SCHEMBL6787147 0.77 ALDH1A1 (0.55) MAPTPOLBL3MBTL1KDM4EMAPK1
Hydrochloric Acid SCHEMBL10722362 0.77 CHRM2 (0.51) CHRM2MAPTSMN1; SMN2POLBL3MBTL1
SCHEMBL30994802 0.76 CHRM2 (0.58) CHRM2MAPTSMN1; SMN2POLBL3MBTL1
SCHEMBL1022424 0.76 CHRM2 (0.58) CHRM2MAPTSMN1; SMN2POLBL3MBTL1
SCHEMBL15137072 0.76 CHRM2 (0.46) CHRM2MAPTSMN1; SMN2POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863787-A1 HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 EP claimed
WO-2006100631-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 WO claimed