SCHEMBL8664868

SCHEMBL8664868

CC(C)C[C@@H](N)C(=O)Nc1cccc2cccnc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLN Q9BYT8 1/20 0.61
▸ TDP1 Q9NUW8 2/20 0.59
▸ POLB P06746 2/20 0.59
▸ MAPT P10636 6/20 0.54
▸ TP53 P04637 2/20 0.54
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SLC40A1 Q9NP59 1/20 0.52
▸ KDR P35968 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ HTT P42858 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ MECP2 P51608 1/20 0.50
▸ LMNA P02545 2/20 0.49

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
SCHEMBL8661068 1.00 NLN (0.61) NLNTDP1POLBMAPTTP53
SCHEMBL8661069 1.00 NLN (0.61) NLNTDP1POLBMAPTTP53
8-Aminoquinoline SCHEMBL8661890 0.94 NLN (0.56) NLNTDP1POLBMAPTTP53
8-Aminoquinoline SCHEMBL8661892 0.94 NLN (0.56) NLNTDP1POLBMAPTTP53
SCHEMBL28252022 0.87 NLN (0.64) NLNTDP1POLBMAPTTP53
SCHEMBL28252023 0.87 NLN (0.64) NLNTDP1POLBMAPTTP53
SCHEMBL28750660 0.83 TDP1 (0.63) NLNTDP1POLBMAPTTP53
SCHEMBL28750659 0.83 TDP1 (0.63) NLNTDP1POLBMAPTTP53
SCHEMBL29152858 0.82 SLC40A1 (0.70) TDP1POLBMAPTTP53MEN1
SCHEMBL2323091 0.79 ANPEP (0.62) POLBMAPTSMN1; SMN2CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5804400-A Electrochemiluminescent assay IGEN INTERNATIONAL, INC. (US) 1998-09-08 — — US claimed
WO-1997028275-A1 ELECTROCHEMILUMINESCENCE ENZYME ASSAY IGEN INTERNATIONAL, INC. (US) 1997-08-07 — — WO claimed
US-5804400-A Electrochemiluminescent assay IGEN INTERNATIONAL, INC. (US) 1998-09-08 — — US disclosed
WO-1997028275-A1 ELECTROCHEMILUMINESCENCE ENZYME ASSAY IGEN INTERNATIONAL, INC. (US) 1997-08-07 — — WO disclosed
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