SCHEMBL9276901

SCHEMBL9276901

C=CCNc1cnc(=O)[nH]c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HCAR3 P49019 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RRM2 P31350 1/20 0.32
▸ GAA P10253 1/20 0.31

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
SCHEMBL17803639 0.69 CA12 (0.37) CA12CA1CA2CA9CA14
SCHEMBL29551741 0.66 ABL1 (0.32) ALDH1A1KDM4EKMT2ALMNAHSD17B10
SCHEMBL213586 0.65 — —
SCHEMBL30906194 0.65 ALDH1A1 (0.38) CA12CA1CA2CA9CA14
SCHEMBL8599937 0.64 MAPT (0.48) CA12CA1CA2CA9CA14
SCHEMBL3418337 0.62 GPR84 (0.59) —
SCHEMBL9544121 0.61 ABL1 (0.48) ALDH1A1RAB9AKDM4EHCAR3CYP3A4
SCHEMBL264572 0.61 ALDH1A1 (0.36) CA12CA1CA2CA9ALDH1A1
SCHEMBL30510082 0.61 — —
Flucytosine SCHEMBL24064 0.61 — —

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-5470974-A Uncharged polynucleotide-binding polymers NEU-GENE DEVELOPMENT GROUP (US) 1995-11-28 — — US disclosed
US-5142047-A Morpholino nucleosides for blocking targeted genetic sequence ANTI-GENE DEVELOPMENT GROUP (US) 1992-08-25 — — US disclosed
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