SCHEMBL8196345

SCHEMBL8196345

O=C(O)CCCCNc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 5/20 0.55
MAPT P10636 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HPGD P15428 2/20 0.49
ATM Q13315 2/20 0.49
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HCAR3 P49019 2/20 0.46
KAT2B Q92831 1/20 0.46
HTT P42858 1/20 0.45
NPC1 O15118 1/20 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
SCHEMBL8203750 0.85 GSTM2 (0.54) SIRT5MAPTTDP1ATMKAT2B
SCHEMBL8191816 0.82 MAPT (0.61) SIRT5MAPTLMNAHCAR3KAT2B
SCHEMBL8194564 0.82 ALDH1A1 (0.63) SIRT5MAPTLMNAHCAR3KAT2B
SCHEMBL17673300 0.81 HPGD (0.57) SIRT5MAPTTDP1MEN1KMT2A
SCHEMBL1283854 0.81 MAPT (0.54) MAPTTDP1ATMLMNAL3MBTL1
SCHEMBL8200406 0.80 ALDH1A1 (0.55) SIRT5MAPTTDP1KMT2AATM
SCHEMBL4359815 0.80 MAPT (0.63) SIRT5MAPTTDP1MEN1KMT2A
SCHEMBL4695415 0.80 HCAR3 (0.52) SIRT5MAPTTDP1KMT2AHPGD
SCHEMBL30697332 0.80 HCAR3 (0.52) SIRT5MAPTTDP1KMT2AHPGD
SCHEMBL8191963 0.79 MAPT (0.67) SIRT5MAPTLMNAL3MBTL1KAT2B

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-6096743-A 1,2,3,4-tetrahydroquinoxalinedione derivative YAMANOUCHI PHARMACEUTICALS CO., LTD. (JP) 2000-08-01 US disclosed
EP-0784054-A1 1,2,3,4-TETRAHYDROQUINOXALINEDIONE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-07-16 EP disclosed