SCHEMBL8426652

SCHEMBL8426652

CCCCNC(=O)CN1c2ccccc2Sc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.67
NPSR1 Q6W5P4 1/20 0.55
MAPT P10636 4/20 0.54
LMNA P02545 3/20 0.54
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 4/20 0.53
ATM Q13315 1/20 0.53
GFER P55789 1/20 0.52
PPARG P37231 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.50
PABPC1 P11940 1/20 0.50

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 0.92 BCHE (0.65) BCHENPSR1MAPTLMNAALDH1A1
SCHEMBL8426449 0.86 BCHE (0.64) BCHENPSR1MAPTLMNAALDH1A1
SCHEMBL8428762 0.85 MAPT (0.63) BCHENPSR1MAPTLMNAKDM4E
SCHEMBL15775131 0.78 PPARG (0.71) BCHENPSR1MAPTLMNAALDH1A1
SCHEMBL8426332 0.78 FNTA (0.61) BCHENPSR1MAPTLMNAALDH1A1
SCHEMBL8430522 0.78 MAPT (0.63) BCHENPSR1MAPTLMNAALDH1A1
SCHEMBL3240026 0.76 MAPT (0.58) BCHEMAPTLMNAALDH1A1KDM4E
SCHEMBL1262841 0.74 ASAH1 (0.68) NPSR1MAPTLMNAALDH1A1HPGD
SCHEMBL1262992 0.74 ASAH1 (0.68) NPSR1MAPTLMNAALDH1A1HPGD
SCHEMBL1263084 0.74 ASAH1 (0.68) NPSR1MAPTLMNAALDH1A1HPGD

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