SCHEMBL4973595

SCHEMBL4973595

Cc1nnc(NC(=O)c2ccc(Sc3ccc(NC(=O)O)cc3)c(N)c2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
TP53 P04637 3/20 0.50
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 5/20 0.48
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALOX15 P16050 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 5/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4982491 0.88 KDM4E (0.54) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL1454615 0.85 KDM4E (0.43) RAB9ANPC1SMN1; SMN2TP53TDP1
SCHEMBL4985967 0.84 ALDH1A1 (0.52) RAB9ANPC1SMN1; SMN2TP53TDP1
SCHEMBL4975269 0.78 GCK (0.47) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4976896 0.77 MAPT (0.52) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL4975567 0.77 MAPT (0.47) RAB9ANPC1SMN1; SMN2TP53TDP1
SCHEMBL1455533 0.74 KDM4E (0.47) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL11957597 0.73 HDAC2 (0.52) RAB9ANPC1TDP1MAPTALDH1A1
SCHEMBL4977002 0.72 PTGS1 (0.56) RAB9ANPC1MAPTALDH1A1ALOX15
SCHEMBL1455605 0.72 DEGS1 (0.50) RAB9ANPC1TP53TDP1MAPT

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-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed