SCHEMBL8428563

SCHEMBL8428563

CCCNC(=O)CN1c2ccccc2Sc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.65
NPSR1 Q6W5P4 1/20 0.65
MAPT P10636 4/20 0.53
PPARG P37231 1/20 0.53
GAA P10253 1/20 0.52
MAPK1 P28482 2/20 0.51
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.50
ATM Q13315 1/20 0.49
THRB P10828 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GFER P55789 1/20 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
SCHEMBL8426652 0.92 BCHE (0.67) BCHENPSR1MAPTPPARGGAA
SCHEMBL8428762 0.88 MAPT (0.63) BCHENPSR1MAPTPPARGGAA
SCHEMBL8430522 0.86 MAPT (0.63) BCHENPSR1MAPTGAAALDH1A1
SCHEMBL15775131 0.86 PPARG (0.71) BCHENPSR1MAPTPPARGGAA
SCHEMBL3240026 0.81 MAPT (0.58) BCHEMAPTPPARGGAAMAPK1
SCHEMBL8426449 0.78 BCHE (0.64) BCHENPSR1MAPTALDH1A1LMNA
SCHEMBL8426650 0.77 FNTA (0.61) BCHENPSR1MAPTGAAMAPK1
SCHEMBL9423724 0.76 NOX1 (0.59) BCHEMAPTGAALMNAATM
SCHEMBL26002112 0.75 FPR2 (0.75) NPSR1MAPTGAAMAPK1TSHR
SCHEMBL12311066 0.74 MEN1 (0.69) BCHEMAPTPPARGALDH1A1LMNA

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