SCHEMBL27655552

SCHEMBL27655552

COc1ccc(CNc2nc(CCC(=O)C=O)nc3sc(C(F)(F)F)cc23)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 8/20 0.45
▸ APP P05067 5/20 0.43
▸ BCHE P06276 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TNF P01375 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PDE3B Q13370 2/20 0.37
▸ PDE3A Q14432 2/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ PDE5A O76074 1/20 0.37

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
SCHEMBL27675443 0.93 PDE5A (0.45) PDE5A
SCHEMBL27655444 0.88 ACHE (0.47) ACHEAPPBCHEKDM4ESMN1; SMN2
SCHEMBL27675431 0.88 ACHE (0.48) ACHEAPPBCHETNFNOD1
SCHEMBL27675572 0.87 ACHE (0.47) ACHEAPPBCHELMNASMN1; SMN2
SCHEMBL27655446 0.86 KDM4E (0.39) KDM4ESMN1; SMN2HPGD
SCHEMBL27655538 0.85 ACHE (0.39) ACHEAPPSMN1; SMN2
SCHEMBL27675500 0.84 ACHE (0.45) ACHEAPPBCHETDP1LMNA
SCHEMBL27655447 0.82 PDE4A (0.45) MEN1KMT2APDE3BPDE3APDE5A
SCHEMBL27675511 0.81 PDE5A (0.41) ACHEPDE5A
SCHEMBL28759761 0.81 PDE11A (0.42) ACHEPDE5A

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
CN-1875023-A Use of thienopyrimidines MERCK PATENT GMBH (DE) 2006-12-06 — — CN disclosed
Send feedback