SCHEMBL20079247

SCHEMBL20079247

CCC#Cc1cc(C(I)Cc2cccc(-c3cc(C(C)C)ccc3F)c2)ccc1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ CASR P41180 1/20 0.31
▸ PTPN5 P54829 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
SCHEMBL18233548 0.77 LMNA (0.32) —
SCHEMBL24726521 0.66 TAAR1 (0.42) PTPN5
SCHEMBL13524522 0.64 LMNA (0.50) PDE4APTPN5
SCHEMBL26378188 0.62 AKR1C3 (0.56) CASR
SCHEMBL18233547 0.62 LMNA (0.35) —
SCHEMBL25453297 0.60 CASR (0.51) CASR
SCHEMBL9289288 0.60 PTGS2 (0.47) PDE4APDE4BPDE4CPDE4DCASR
SCHEMBL24956787 0.59 LMNA (0.41) —
SCHEMBL21386081 0.59 NFE2L2 (0.32) —
SCHEMBL12618445 0.58 LMNA (0.42) —

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-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 — — US disclosed
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