SCHEMBL6153265

SCHEMBL6153265

Nc1ccccc1Sc1ccc(C(=O)OC(=O)c2ccc(Sc3ccccc3N)c3ccccc23)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE7A Q13946 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 4/20 0.39
POLB P06746 2/20 0.39
PKM P14618 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37

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
SCHEMBL11835677 0.84 KDM4E (0.54) GFERALDH1A1KDM4ETDP1PDE7A
SCHEMBL9566918 0.83 KDM4E (0.47) GFERALDH1A1KDM4ETDP1PDE7A
SCHEMBL11352754 0.82 PKM (0.49) ALDH1A1KDM4ETDP1SMN1; SMN2POLB
SCHEMBL11346051 0.80 SIRT1 (0.45) ALDH1A1TDP1MAPTL3MBTL1MEN1
SCHEMBL1025155 0.77 IDO1 (0.47) ALDH1A1KDM4ETDP1MAPTPOLB
SCHEMBL13717081 0.71 FGFR1 (0.39) ALDH1A1KDM4ETDP1SMN1; SMN2MAPT
SCHEMBL1340573 0.70 ALDH1A1 (0.66) ALDH1A1KDM4ETDP1MAPTPOLB
SCHEMBL11835668 0.70 KDM4E (0.51) GFERALDH1A1KDM4ETDP1PDE7A
SCHEMBL713707 0.70 MEN1 (0.68) GFERALDH1A1KDM4ETDP1PDE7A
SCHEMBL29869345 0.70 MEN1 (0.68) GFERALDH1A1KDM4ETDP1PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5347019-A REACTING 4-HALONAPHTHALIC ANHYDRIDES WITH 2-AMINOTHIOPHENOLATES CASSELLA AG (DE) 1994-09-13 US claimed
JP-6080660-A None JP disclosed
EP-1517316-A1 New azo type dyes for optical data recording CLARIANT INTERNATIONAL LTD. (CH) 2005-03-23 EP disclosed
US-5347019-A REACTING 4-HALONAPHTHALIC ANHYDRIDES WITH 2-AMINOTHIOPHENOLATES CASSELLA AG (DE) 1994-09-13 US disclosed
US-5347019-A REACTING 4-HALONAPHTHALIC ANHYDRIDES WITH 2-AMINOTHIOPHENOLATES CASSELLA AG (DE) 1994-09-13 US disclosed
US-5347019-A REACTING 4-HALONAPHTHALIC ANHYDRIDES WITH 2-AMINOTHIOPHENOLATES CASSELLA AG (DE) 1994-09-13 US disclosed
JP-H0680660-A PREPARATION OF 4-(2-AMINOPHENYLTHIO)NAPHTHALIC ANHYDRIDE DERIVATIVE CASSELLA AG 1994-03-22 JP disclosed
US-4254109-A INHIBIT LENS ALDOSE REDUCTASE AYERST, MCKENNA & HARRISON INC. (CA) 1981-03-03 US disclosed