SCHEMBL11080475

SCHEMBL11080475

Nc1nc(Nc2ccc(Cl)cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ADORA3 P0DMS8 1/20 0.53
SLC6A2 P23975 1/20 0.53
PDE4A P27815 1/20 0.53
KDR P35968 1/20 0.53
GAA P10253 1/20 0.53
GFER P55789 1/20 0.53
SCN9A Q15858 5/20 0.51
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
KCNH2 Q12809 3/20 0.45
SCN5A Q14524 3/20 0.45
STK17A Q9UEE5 3/20 0.43

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
SCHEMBL11089778 0.81 SMN1; SMN2 (0.53) MEN1KMT2AGAASCN9ANPC1
SCHEMBL16014242 0.81 MAPT (0.44) MEN1KMT2AADORA3SLC6A2PDE4A
SCHEMBL11088916 0.81 RAB9A (0.53) MEN1KMT2AGAASCN9ANPC1
SCHEMBL17403482 0.81 MAPT (0.52) MEN1KMT2AGAAGFERNPC1
SCHEMBL11078558 0.81 POLA1 (0.50) STK17ASTK17BTDO2NPY5R
SCHEMBL11079956 0.77 POLB (0.43) MEN1KMT2AADORA3SLC6A2PDE4A
SCHEMBL11630110 0.75 KCNH3 (0.59) MEN1KMT2AADORA3SLC6A2PDE4A
SCHEMBL2452956 0.75 ADORA3 (0.68) MEN1KMT2AADORA3SLC6A2PDE4A
SCHEMBL11083592 0.73 HDAC3 (0.40) MEN1KMT2AGAAMAPTCYP3A4
SCHEMBL17377367 0.73 MAPT (0.48) MEN1KMT2AGAANPC1RAB9A

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