SCHEMBL8428762

SCHEMBL8428762

CCNC(=O)CN1c2ccccc2Sc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.63
BCHE P06276 4/20 0.63
GAA P10253 1/20 0.63
PPARG P37231 1/20 0.55
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
LMNA P02545 1/20 0.50
XBP1 P17861 1/20 0.49
POLB P06746 1/20 0.49
FNTA P49354 2/20 0.48
FNTB P49356 2/20 0.48

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
SCHEMBL8428563 0.88 BCHE (0.65) MAPTBCHEGAAPPARGNPSR1
SCHEMBL8426652 0.85 BCHE (0.67) MAPTBCHEGAAPPARGNPSR1
SCHEMBL3240026 0.81 MAPT (0.58) MAPTBCHEGAAPPARGMEN1
SCHEMBL9423724 0.78 NOX1 (0.59) MAPTBCHEGAAMEN1KMT2A
SCHEMBL15775131 0.77 PPARG (0.71) MAPTBCHEGAAPPARGNPSR1
SCHEMBL12311066 0.76 MEN1 (0.69) MAPTBCHEPPARGMEN1KMT2A
SCHEMBL15775176 0.76 PPARG (0.70) MAPTBCHEGAAPPARGMEN1
SCHEMBL12896373 0.76 MAPT (0.63) MAPTNPSR1MEN1KMT2AKDM4E
SCHEMBL29923275 0.76 MAPT (0.63) MAPTNPSR1MEN1KMT2AKDM4E
SCHEMBL8435143 0.76 FNTA (0.66) MAPTGAANPSR1MEN1KMT2A

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
US-5861394-A COMPOUNDS AS ANTIISCHEMIC AGENTS, TREATMENT OF STROKES, ANTIHEMORRHEGENIC AGENTS, ANTIDEPRESSANTS OR TREATMENT OF SICKKLE CELL ANEMIA BAYER AKTIENGESELLSCHAFT (DE) 1999-01-19 US claimed