SCHEMBL16215977

SCHEMBL16215977

Cc1sc(-c2ccc(Cl)c(F)c2)nc1C1C(=O)[C@@H]2CC[C@H](C2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.34
▸ CYP11B2 P19099 4/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ TRPV1 Q8NER1 3/20 0.32
▸ PTGS2 P35354 2/20 0.32
▸ RARA P10276 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PROKR1 Q8TCW9 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
SCHEMBL10237927 1.00 CYP11B1 (0.34) CYP11B1CYP11B2KDM1AABL1TRPV1
SCHEMBL10237901 0.91 PDE3B (0.34) ABL1SLC6A3
SCHEMBL16215997 0.90 SLC6A3 (0.39) ABL1PDE4APDE4BPDE4CPDE4D
SCHEMBL10237915 0.90 SLC6A3 (0.39) ABL1PDE4APDE4BPDE4CPDE4D
SCHEMBL10237917 0.86 DHODH (0.35) PDE4BPDE4CPDE4DSLC6A3
SCHEMBL10237956 0.86 CYP11B1 (0.36) CYP11B1CYP11B2KDM1AABL1TRPV1
SCHEMBL10237906 0.86 NOTUM (0.46) PTGS2
SCHEMBL10238068 0.85 PIK3CA (0.41) KDM1APTGS2SLC6A3PTGS1
SCHEMBL10238063 0.84 EIF4E (0.35) KDM1APDE4A
SCHEMBL10238020 0.83 PTGS2 (0.41) PTGS2PTGS1

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
EP-2176222-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-11-05 — — EP disclosed
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