SCHEMBL4976896

SCHEMBL4976896

Cc1cc(Cl)cc(C)c1NC(=O)c1ccc(Sc2ccc(NC(=O)O)cc2)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
HPGD P15428 4/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 2/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
HDAC1 Q13547 2/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
JAK2 O60674 1/20 0.38

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
SCHEMBL4975567 0.89 MAPT (0.47) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL1454861 0.85 MAPT (0.46) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL4976616 0.83 MEN1 (0.53) MAPTALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL4976907 0.79 MAPT (0.51) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL4973595 0.77 RAB9A (0.50) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL1455784 0.76 MAPT (0.41) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL11957597 0.75 HDAC2 (0.52) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL1455121 0.74 MAPT (0.57) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL4982491 0.74 KDM4E (0.54) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL1455605 0.73 DEGS1 (0.50) MAPTHPGDALDH1A1KDM4ELMNA

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