SCHEMBL6282323

SCHEMBL6282323

O=C(Cn1cc[c]n1)Nc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.52
TSHR P16473 3/20 0.52
ALDH1A1 P00352 9/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RCE1 Q9Y256 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 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
SCHEMBL760516 0.76 RAB9A (0.49) POLBTSHRALDH1A1L3MBTL1HTT
SCHEMBL2010247 0.72 SMN1; SMN2 (0.69) POLBTSHRALDH1A1HPGDHTT
Hydrochloric Acid SCHEMBL3843750 0.70 TSHR (0.53) POLBTSHRALDH1A1L3MBTL1HPGD
SCHEMBL7141238 0.70 ALDH1A1 (0.60) POLBTSHRALDH1A1L3MBTL1HPGD
SCHEMBL7982548 0.69 SMN1; SMN2 (0.64) POLBTSHRALDH1A1L3MBTL1HPGD
SCHEMBL24896765 0.69 POLB (0.47) POLBTSHRALDH1A1L3MBTL1HPGD
SCHEMBL6224736 0.68 HDAC1 (0.62) POLBTSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL5804013 0.68 SMN1; SMN2 (0.62) POLBTSHRALDH1A1HTTMAPT
SCHEMBL1063418 0.68 NPSR1 (0.71) POLBTSHRALDH1A1HTTMAPT
SCHEMBL1431346 0.68 NPC1 (0.62) POLBTSHRALDH1A1HPGDHTT

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-1525199-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS Argenta Discovery Limited (GB) 2005-04-27 EP disclosed
WO-2004013130-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2004-02-12 WO disclosed