SCHEMBL29575673

SCHEMBL29575673

CC(C)(C)OC(=O)NCCOc1ccc2nc(C#N)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.48
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA9 Q16790 5/20 0.48
LMNA P02545 1/20 0.46
PDK2 Q15119 1/20 0.46
PPARA Q07869 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CACNA1H O95180 2/20 0.40
CACNA1B Q00975 3/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL26549538 1.00 CA2 (0.48) CA2CA12CA1CA9LMNA
SCHEMBL906924 0.97 CA12 (0.49) CA2CA12CA1CA9LMNA
SCHEMBL19782868 0.85 KMT2A (0.54) CA2CA12CA1CA9LMNA
SCHEMBL25338089 0.85 LMNA (0.46) CA2CA1LMNANPC1RAB9A
SCHEMBL13637124 0.83 L3MBTL1 (0.47) LMNAKDM4ENPC1RAB9ACACNA1H
SCHEMBL19410334 0.81 LMNA (0.45) CA2CA1LMNANPC1RAB9A
SCHEMBL12618007 0.81 CACNA1H (0.46) CA2CA1LMNAPDK2PPARA
SCHEMBL12617487 0.79 SCN9A (0.41) CA2CA12CA1CA9BRD4
SCHEMBL12617413 0.79 CYP3A4 (0.44) CA2CA12CA1CA9LMNA
SCHEMBL15080278 0.79 CYP3A4 (0.44) CA2CA1LMNANPC1RAB9A

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
US-20230331934-A1 NEW HYDROGELS LEIBNIZ-INSTITUT FÜR NEUE MATERIALIEN GEMEINNÜTZIGE GMBH (DE) 2023-10-19 US disclosed
EP-4222196-A1 NEW HYDROGELS Leibniz-Institut für Neue Materialien gemeinnützige GmbH (DE) 2023-08-09 EP disclosed
WO-2022069574-A1 NEW HYDROGELS LEIBNIZ-INSTITUT FÜR NEUE MATERIALIEN GEMEINNÜTZIGE GMBH (DE) 2022-04-07 WO disclosed