SCHEMBL8925967

SCHEMBL8925967

C(=C/c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1)\c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1.[NaH].[NaH]

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.75
HTT P42858 1/20 0.75
CA12 O43570 3/20 0.65
CA1 P00915 3/20 0.65
CA2 P00918 3/20 0.65
CA9 Q16790 3/20 0.65
POLB P06746 3/20 0.65
MAPT P10636 5/20 0.64
SMN1; SMN2 Q16637 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
TP53 P04637 1/20 0.58
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.56
PTGS2 P35354 2/20 0.56
NPSR1 Q6W5P4 2/20 0.55
GAA P10253 1/20 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
SCHEMBL3880764 1.00 LMNA (0.75) LMNAHTTCA12CA1CA2
SCHEMBL3115297 0.99 LMNA (0.77) LMNAHTTCA12CA1CA2
SCHEMBL757098 0.99 LMNA (0.77) LMNAHTTCA12CA1CA2
SCHEMBL30139086 0.99 LMNA (0.77) LMNAHTTCA12CA1CA2
SCHEMBL1735430 0.97 LMNA (0.75) LMNAHTTCA12CA1CA2
SCHEMBL29345146 0.89 LMNA (0.94) LMNAHTTCA12CA1CA2
SCHEMBL11810697 0.86 LMNA (1.00) LMNAHTTCA12CA1CA2
SCHEMBL11876083 0.86 PTGS2 (0.62) LMNAHTTCA12CA1CA2
SCHEMBL18796549 0.86 LMNA (0.65) LMNAHTTCA12CA1CA2
SCHEMBL8746487 0.84 CA12 (0.56) LMNAHTTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3947615-B1 USE OF A MANNANASE ENZYME IN COMBINATION WITH CATECHOL DERIVATIVES HENKEL AG & CO KGAA (DE) 2023-04-05 EP disclosed
US-11421048-B2 Dual activated microgel LUBRIZOL ADVANCED MATERIALS, INC. (US) 2022-08-23 US disclosed
US-5658874-A Production of detergent tablet compositions LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1997-08-19 US disclosed