SCHEMBL9307048

SCHEMBL9307048

CC1(C)NC(C)(C)/C(=N/O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL4425157 0.73 TSHR (0.32)
SCHEMBL21412215 0.66 ALDH1A1 (0.47) ALDH1A1
SCHEMBL21412218 0.66 ALDH1A1 (0.47) ALDH1A1
SCHEMBL1811401 0.65 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1811402 0.65 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2999710 0.58 TSHR (0.31)
SCHEMBL9564568 0.55 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5243332 0.54 SMN1; SMN2 (0.43) ALDH1A1
SCHEMBL11446909 0.53 LMNA (0.39)
SCHEMBL17865612 0.53

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-5360812-A Fused 1,2,5-oxadiazole-2-oxides and their use CASSELLA AKTIENGESELLSCHAFT (DE) 1994-11-01 US disclosed
EP-0574726-A1 Annelated 1,2,5-oxadiozole-2 oxides and their use as pharmacological agents HOECHST AKTIENGESELLSCHAFT (DE) 1993-12-22 EP disclosed