SCHEMBL7572046

SCHEMBL7572046

CCCC(=O)OCCc1nccc(N2C[C@@H](C)N(C(=O)Oc3cccnc3)[C@@H](C)C2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.39
▸ SORD Q00796 4/20 0.36
▸ FAAH O00519 1/20 0.36
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ NFKB1 P19838 2/20 0.32
▸ NFKB2 Q00653 2/20 0.32
▸ RELA Q04206 2/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL7178987 0.86 SORD (0.49) KMT2ASORDJAK2JAK1TYK2
SCHEMBL6293393 0.82 SORD (0.42) SORDJAK2JAK1TYK2ACACB
SCHEMBL6297892 0.82 SORD (0.40) KMT2ASORDCCNCCDK8
SCHEMBL7489299 0.81 SORD (0.53) SORDACACB
SCHEMBL6297889 0.81 SORD (0.41) SORDJAK2JAK1TYK2ACACB
SCHEMBL6293329 0.81 SORD (0.41) SORDJAK2JAK1TYK2ACACB
SCHEMBL6294606 0.80 EIF2AK4 (0.41) SORDJAK2JAK1TYK2
SCHEMBL6294586 0.80 SORD (0.36) KMT2ASORDJAK2JAK1TYK2
SCHEMBL6294680 0.78 DRD2 (0.35) KMT2ASORDJAK2JAK1TYK2
SCHEMBL6293205 0.77 SORD (0.39) SORDJAK2JAK1TYK2ACACB

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
EP-1185275-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2002-03-13 — — EP disclosed
WO-2000059510-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-10-12 — — WO disclosed
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