SCHEMBL4258933

SCHEMBL4258933

CCOC(=O)c1cc2cc(N(Cc3ccccc3)Cc3ccccc3)ccc2s1.CCOC(=O)c1cc2cc(N)ccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 7/20 0.47
DYRK1A Q13627 3/20 0.47
PTPN2 P17706 2/20 0.42
RAB9A P51151 5/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 4/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CASP3 P42574 1/20 0.40
ATM Q13315 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CLK2 P49760 2/20 0.40

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
SCHEMBL1888902 0.94 CLK1 (0.50) CLK1DYRK1APTPN2RAB9AMAPT
SCHEMBL1000816 0.83 PTPN2 (0.49) CLK1DYRK1APTPN2RAB9AMAPT
Hydrochloric Acid SCHEMBL6983330 0.82 PTPN2 (0.48) CLK1DYRK1APTPN2RAB9AMAPT
SCHEMBL3187716 0.76 PTPN2 (0.47) CLK1DYRK1APTPN2RAB9AMAPT
SCHEMBL1890495 0.76 HDAC1 (0.62) CLK1HDAC1HDAC3HDAC2
SCHEMBL1885929 0.74 CLK1 (0.46) CLK1DYRK1APTPN2SMN1; SMN2ALDH1A1
SCHEMBL2822973 0.73 PTPN2 (0.49) PTPN2RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL21417393 0.72 PTPN2 (0.50) CLK1DYRK1APTPN2RAB9AMAPT
SCHEMBL29913871 0.72 BCL2L1 (0.57) DYRK1APTPN2RAB9AMAPTSMN1; SMN2
SCHEMBL4405770 0.72 BCL2L1 (0.57) DYRK1APTPN2RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677731-A4 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA INC (US) 2009-05-06 EP disclosed
EP-1677731-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES Aton Pharma, Inc. (US) 2006-07-12 EP disclosed
WO-2005034880-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-04-21 WO disclosed