SCHEMBL31690656

SCHEMBL31690656

S=C(NN=C(c1ccccc1)c1ccccn1)NN=C(c1ccccc1)c1ccccn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.70
HKDC1 Q2TB90 1/20 0.64
RAB9A P51151 3/20 0.59
NCOA3 Q9Y6Q9 2/20 0.59
NPC1 O15118 1/20 0.59
NCOA1 Q15788 1/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HPGD P15428 2/20 0.57
GAA P10253 1/20 0.57
ALOX12 P18054 1/20 0.57
HTT P42858 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
LMNA P02545 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 3/20 0.56
MAPT P10636 2/20 0.56
NPSR1 Q6W5P4 3/20 0.54
MITF O75030 2/20 0.54

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
SCHEMBL13522803 0.91 TOP2A (0.68) AGTR1HKDC1RAB9ANCOA3NPC1
SCHEMBL29896251 0.91 TOP2A (0.68) AGTR1HKDC1RAB9ANCOA3NPC1
SCHEMBL29896301 0.91 TOP2A (0.68) AGTR1HKDC1RAB9ANCOA3NPC1
SCHEMBL31690659 0.90 TOP2A (0.59) AGTR1HKDC1RAB9ANCOA3NPC1
SCHEMBL3133142 0.88 AGTR1 (0.67) AGTR1HKDC1RAB9ANCOA3NPC1
SCHEMBL13522802 0.88 AGTR1 (0.67) AGTR1HKDC1RAB9ANCOA3NPC1
SCHEMBL13522778 0.87 TOP2A (0.70) AGTR1HKDC1RAB9ANCOA3NPC1
SCHEMBL12680566 0.84 AGTR1 (0.55) AGTR1HKDC1RAB9ANCOA3NPC1
SCHEMBL13522800 0.84 HTT (0.70) AGTR1HKDC1RAB9ANCOA3NPC1
SCHEMBL12680561 0.84 AGTR1 (0.55) AGTR1HKDC1RAB9ANCOA3NPC1

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
EP-4095097-B1 METAL-ADSORBING COMPOSITE MATERIAL BASED ON MAGNETIC GRAPHENE OXIDE AND METHOD FOR OBTAINING SAME UNIV MALAGA (ES) 2025-10-01 EP claimed
EP-4095097-B1 METAL-ADSORBING COMPOSITE MATERIAL BASED ON MAGNETIC GRAPHENE OXIDE AND METHOD FOR OBTAINING SAME UNIV MALAGA (ES) 2025-10-01 EP disclosed