SCHEMBL24877693

SCHEMBL24877693

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ MAOB P27338 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.35
▸ DGAT1 O75907 1/20 0.34
▸ REN P00797 1/20 0.34
▸ F10 P00742 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SMPD1 P17405 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
SCHEMBL23106299 0.92 GAA (0.38) GAAMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL23106281 0.92 GAA (0.39) GAAMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL21575547 0.90 GAA (0.36) GAAMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL23879757 0.90 KDM4E (0.38) GAAMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL23879734 0.87 SMN1; SMN2 (0.39) GAAMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL23502894 0.84 GAA (0.37) GAAMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL21538137 0.84 KMT2A (0.39) GAAMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL14611467 0.83 SMN1; SMN2 (0.45) GAAMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL25571178 0.83 KMT2A (0.44) GAAMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL23957821 0.83 NR1H4 (0.41) GAAMAPTKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230011240-A1 MODIFIED ARCHAEAL FAMILY B POLYMERASES FIRST-CITIZENS BANK & TRUST COMPANY 2023-01-12 — — US disclosed
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