SCHEMBL8177925

SCHEMBL8177925

COC(=O)c1ccc(-c2nc(Cl)c3c4c(sc3n2)CCCC4)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.55
▸ PTGS2 P35354 9/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL8336745 0.86 ABCC1 (0.55) POLBPTGS2MAPTKDM4EMEN1
SCHEMBL8185547 0.80 PTGS2 (0.51) POLBPTGS2MAPTMEN1KMT2A
SCHEMBL8184514 0.79 PTGS2 (0.58) POLBPTGS2MAPTMEN1KMT2A
SCHEMBL8177997 0.79 PTGS2 (0.61) PTGS2MAPTKDM4EMEN1NPC1
SCHEMBL7613253 0.78 PRKCI (0.62) PRKCI
SCHEMBL8172960 0.78 LMNA (0.49) POLBPTGS2MAPTLMNAPRKCI
SCHEMBL8179296 0.78 KDM4E (0.49) POLBMAPTKDM4EMEN1NPC1
SCHEMBL8170324 0.78 ALDH1A1 (0.49) POLBMAPTKDM4EMEN1NPC1
SCHEMBL8180855 0.78 PTGS2 (0.59) PTGS2MAPTKDM4EMEN1NPC1
SCHEMBL8178388 0.76 LMNA (0.58) POLBPTGS2MAPTLMNAPRKCI

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-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 — — US disclosed
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