SCHEMBL8178683

SCHEMBL8178683

O=C(O)c1ccc(-c2nc(NCc3ccc(Cl)c(Cl)c3)c3c4c(sc3n2)CCCC4)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.55
PRKCI P41743 13/20 0.49
PRKCZ Q05513 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL8185547 0.90 PTGS2 (0.51) PTGS2PRKCIMEN1MAPTKMT2A
SCHEMBL7015020 0.90 PTGS2 (0.51) PTGS2PRKCIPRKCZMEN1MAPT
SCHEMBL8179988 0.88 PTGS2 (0.65) PTGS2PRKCIPRKCZKDM4EMEN1
SCHEMBL8169588 0.87 PRKCI (0.59) PTGS2PRKCIPRKCZKDM4EMEN1
SCHEMBL5782433 0.87 PRKCI (0.66) PRKCIPRKCZ
SCHEMBL7015745 0.85 PTGS2 (0.53) PTGS2PRKCIPRKCZKDM4EMEN1
SCHEMBL8178943 0.85 PTGS2 (0.53) PTGS2PRKCIPRKCZMEN1MAPT
SCHEMBL8172960 0.83 LMNA (0.49) PTGS2PRKCIMAPT
SCHEMBL8186250 0.82 FYN (0.46) PRKCIKDM4EMEN1NPC1MAPT
SCHEMBL8180806 0.82 FYN (0.46) PRKCIKDM4EMEN1NPC1GAA

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