SCHEMBL17866709

SCHEMBL17866709

O=C(O)c1c(CO)ccc2nc3cccc(O)c3nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ACHE P22303 2/20 0.47
NQO2 P16083 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 3/20 0.39
ALOX12 P18054 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3724948 0.83 ACHE (0.55) KMT2AALDH1A1RAB9AMAPTGAA
SCHEMBL3721381 0.79 ACHE (0.62) KMT2AALDH1A1RAB9AMAPTGAA
SCHEMBL16431388 0.77 ALDH1A1 (0.50) KMT2AALDH1A1RAB9AMAPTGAA
SCHEMBL13439504 0.74 ACHE (0.85) KMT2AALDH1A1RAB9AMAPTGAA
SCHEMBL3724658 0.73 ALDH1A1 (0.71) KMT2AALDH1A1RAB9AMAPTGAA
SCHEMBL30468172 0.73 ALDH1A1 (0.71) KMT2AALDH1A1RAB9AMAPTGAA
SCHEMBL3724888 0.73 ALDH1A1 (0.56) KMT2AALDH1A1RAB9AMAPTGAA
SCHEMBL5886263 0.72 CA12 (0.46) KMT2AALDH1A1RAB9AMAPTGAA
SCHEMBL11571511 0.72 CA12 (0.64) MAPTCA12CA1CA2CA7
SCHEMBL3735695 0.70 ALDH1A1 (0.56) KMT2AALDH1A1RAB9AMAPTGAA

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-9944925-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. 2018-04-17 US disclosed
US-20160186168-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2016-06-30 US disclosed