SCHEMBL5997449

SCHEMBL5997449

CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.74
TP53 P04637 3/20 0.74
POLB P06746 4/20 0.70
RXFP1 Q9HBX9 3/20 0.70
RAB9A P51151 6/20 0.63
NPC1 O15118 4/20 0.63
SMN1; SMN2 Q16637 5/20 0.62
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 4/20 0.62
GAA P10253 3/20 0.62
HPGD P15428 3/20 0.62
HSD17B10 Q99714 3/20 0.62
USP2 O75604 1/20 0.61
ALOX15 P16050 1/20 0.61
PPARG P37231 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NR2E3 Q9Y5X4 1/20 0.61
NCOR2 Q9Y618 1/20 0.61
ADRB2 P07550 2/20 0.57

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
SCHEMBL10144065 0.87 MAPT (0.77) MAPTTP53POLBRXFP1RAB9A
SCHEMBL2624544 0.87 SMN1; SMN2 (0.77) MAPTTP53POLBRXFP1RAB9A
SCHEMBL10279091 0.86 MAPT (0.75) MAPTTP53POLBRXFP1RAB9A
SCHEMBL2624535 0.85 MAPT (0.74) MAPTTP53POLBRXFP1RAB9A
SCHEMBL2624542 0.85 MAPT (1.00) MAPTTP53POLBRXFP1RAB9A
SCHEMBL2740438 0.83 MAPT (0.71) MAPTTP53POLBRXFP1RAB9A
SCHEMBL12988671 0.83 MAPT (0.71) MAPTTP53POLBRXFP1RAB9A
SCHEMBL23657588 0.81 MAPT (0.84) MAPTTP53POLBRXFP1RAB9A
SCHEMBL2624540 0.81 SIRT1 (0.82) MAPTTP53POLBRXFP1RAB9A
SCHEMBL2624537 0.81 MAPT (0.67) MAPTTP53POLBRXFP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012065139-A2 ENTPD5 INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-05-18 WO disclosed