SCHEMBL11089778

SCHEMBL11089778

Nc1nc(Nc2ccc(F)cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TXN P10599 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNH2 Q12809 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
KCNH3 Q9ULD8 10/20 0.45
AURKA O14965 1/20 0.45
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41

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
SCHEMBL11088916 0.81 RAB9A (0.53) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL11080475 0.81 MEN1 (0.53) MAPTNPC1RAB9AMEN1ALOX12
SCHEMBL17403482 0.81 MAPT (0.52) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL11078558 0.74 POLA1 (0.50) LMNAMAPK1IDO1TDO2
SCHEMBL16014242 0.70 MAPT (0.44) MAPTMEN1KMT2AGAA
SCHEMBL24061386 0.69 NOTUM (0.66) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL8236544 0.69 SMN1; SMN2 (1.00) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL28229877 0.68 SMN1; SMN2 (0.58) SMN1; SMN2MAPTNPC1RAB9ATXN
SCHEMBL395770 0.67 ALDH1A1 (0.50) SMN1; SMN2MAPTNPC1RAB9ATXN
SCHEMBL21645541 0.67 TXN (0.89) SMN1; SMN2MAPTNPC1RAB9ATXN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4446142-A HYPOTENSIVE AGENTS BEIERSDORF AKTIENGESELLSCHAFT (DE) 1984-05-01 US claimed
EP-0044266-A2 Substituted 3,5-diamino-1,2,4-oxadiazoles and 3,5-diamino-1,2,4-thiadiazoles, their preparation and pharmaceutical compositions containing them Beiersdorf Aktiengesellschaft (DE) 1982-01-20 EP claimed
US-4446142-A HYPOTENSIVE AGENTS BEIERSDORF AKTIENGESELLSCHAFT (DE) 1984-05-01 US disclosed
EP-0044266-A2 Substituted 3,5-diamino-1,2,4-oxadiazoles and 3,5-diamino-1,2,4-thiadiazoles, their preparation and pharmaceutical compositions containing them Beiersdorf Aktiengesellschaft (DE) 1982-01-20 EP disclosed
EP-0044266-A2 Substituted 3,5-diamino-1,2,4-oxadiazoles and 3,5-diamino-1,2,4-thiadiazoles, their preparation and pharmaceutical compositions containing them Beiersdorf Aktiengesellschaft (DE) 1982-01-20 EP disclosed