SCHEMBL11754200

SCHEMBL11754200

Cc1ccc(-c2sc(S)nc2-c2ccc(Br)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
NPSR1 Q6W5P4 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.54
XBP1 P17861 1/20 0.54
PTGS2 P35354 2/20 0.49
ALDH1A1 P00352 4/20 0.42
XIAP P98170 1/20 0.40
ACHE P22303 4/20 0.39
ALOX5 P09917 3/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.36
APP P05067 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL11750931 1.00 MAPT (0.54) MAPTNPSR1SMN1; SMN2MAPK1KDM4E
SCHEMBL11756287 0.92 PTGS2 (0.48) MAPTNPSR1SMN1; SMN2MAPK1KDM4E
SCHEMBL11755436 0.92 MAPT (0.62) MAPTNPSR1SMN1; SMN2MAPK1KDM4E
SCHEMBL11754465 0.85 ALDH1A1 (0.50) MAPTNPSR1SMN1; SMN2MAPK1KDM4E
SCHEMBL11751111 0.85 MAPT (0.56) MAPTNPSR1SMN1; SMN2MAPK1KDM4E
SCHEMBL11753884 0.85 MAPT (0.56) MAPTNPSR1SMN1; SMN2MAPK1KDM4E
SCHEMBL11753334 0.85 ALDH1A1 (0.50) MAPTNPSR1SMN1; SMN2MAPK1KDM4E
SCHEMBL11755381 0.84 KDM4E (0.54) MAPTNPSR1SMN1; SMN2MAPK1KDM4E
SCHEMBL11751069 0.84 KDM4E (0.54) MAPTNPSR1SMN1; SMN2MAPK1KDM4E
SCHEMBL11750767 0.84 NPSR1 (0.44) MAPTNPSR1SMN1; SMN2MAPK1KDM4E

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
US-4051250-A OXAZOLE, THIAZOLE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 US disclosed
US-3933840-A ANTIPHLOGISTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-20 US disclosed