SCHEMBL23106232

SCHEMBL23106232

CC(C)/C=C/CNC(=O)COCCOC(COc1cccc(C(=O)NCCNC(C)C)c1)N=[N+]=[N-]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ KMT2A Q03164 3/20 0.34
▸ ADRB2 P07550 2/20 0.34
▸ ADRB1 P08588 2/20 0.34
▸ ADRB3 P13945 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ DRD2 P14416 3/20 0.33
▸ DRD4 P21917 3/20 0.33
▸ DRD3 P35462 3/20 0.33

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
SCHEMBL23502904 0.94 ALDH1A1 (0.36) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL24877167 0.94 ALDH1A1 (0.38) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL21307969 0.93 SMN1; SMN2 (0.37) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL23879734 0.93 SMN1; SMN2 (0.39) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL23106218 0.92 ALDH1A1 (0.36) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL23809297 0.88 SMN1; SMN2 (0.37) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL23502909 0.88 ALDH1A1 (0.36) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL23502912 0.88 ALDH1A1 (0.36) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL24876974 0.87 ALDH1A1 (0.36) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL23106299 0.87 GAA (0.38) SMN1; SMN2GAAMAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227798-A1 MODIFIED THERMOCCOCUS POLYMERASES FIRST-CITIZENS BANK & TRUST COMPANY 2023-07-20 — — US disclosed
US-20230011240-A1 MODIFIED ARCHAEAL FAMILY B POLYMERASES FIRST-CITIZENS BANK & TRUST COMPANY 2023-01-12 — — US disclosed
US-20220119779-A1 MODIFIED PYROCOCCUS POLYMERASES AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2022-04-21 — — US disclosed
US-11136565-B2 Modified archaeal family B polymerases Singular Genomics Systems, Inc. (US) 2021-10-05 — — US disclosed
US-11034942-B1 Modified pyrococcus polymerases and uses thereof Singular Genomics Systems, Inc. (US) 2021-06-15 — — US disclosed
US-20210079364-A1 MODIFIED THERMOCCOCUS POLYMERASES FIRST-CITIZENS BANK & TRUST COMPANY 2021-03-18 — — US disclosed
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