SCHEMBL23106299

SCHEMBL23106299

CC(C)NCCNC(=O)c1cccc(OCC(N=[N+]=[N-])OCCOCC(=O)C(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ REN P00797 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ F10 P00742 1/20 0.34

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
SCHEMBL23879757 0.94 KDM4E (0.38) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL24877693 0.92 GAA (0.38) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL22327368 0.91 GAA (0.43) GAAMAPTKMT2AADRB2ADRB1
SCHEMBL22327386 0.91 NR1H4 (0.41) GAAMAPTKMT2AADRB2ADRB1
SCHEMBL23502901 0.90 GAA (0.36) GAAMAPTKMT2AADRB2ADRB1
SCHEMBL23879737 0.89 GAA (0.35) GAAMAPTKMT2AADRB2ADRB1
SCHEMBL22327367 0.88 GAA (0.48) GAAMAPTKMT2AADRB2ADRB1
SCHEMBL23957822 0.88 GAA (0.43) GAAMAPTKMT2AADRB2ADRB1
SCHEMBL24877167 0.87 ALDH1A1 (0.38) GAAMAPTKMT2AADRB2ADRB1
SCHEMBL23106232 0.87 SMN1; SMN2 (0.37) GAAMAPTKMT2AADRB2ADRB1

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-20220119780-A1 ENGINEERED PYROCOCCUS ENZYMES AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2022-04-21 — — 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-20210284975-A1 MODIFIED PYROCOCCUS POLYMERASES AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2021-09-16 — — US disclosed
US-20210079364-A1 MODIFIED THERMOCCOCUS POLYMERASES FIRST-CITIZENS BANK & TRUST COMPANY 2021-03-18 — — US disclosed
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