SCHEMBL8182385

SCHEMBL8182385

O=C(O)c1ccc(-c2nc(NCCc3ccc4c(c3)OCCO4)c3c4c(sc3n2)CCCC4)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.51
PRKCI P41743 14/20 0.50
PRKCZ Q05513 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44

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
SCHEMBL8185252 0.95 PTGS2 (0.51) PTGS2PRKCIPRKCZKDM4EMEN1
SCHEMBL7015745 0.86 PTGS2 (0.53) PTGS2PRKCIPRKCZKDM4EMEN1
SCHEMBL8176873 0.86 PRKCI (0.50) PTGS2PRKCISMN1; SMN2
SCHEMBL8180415 0.86 PTGS2 (0.63) PTGS2PRKCIPRKCZKDM4EMEN1
SCHEMBL8177887 0.85 PRKCI (0.46) PRKCIMAPTSMN1; SMN2CNR2
SCHEMBL8172557 0.83 LMNA (0.41) KDM4EMEN1NPC1MAPTHPGD
SCHEMBL8183436 0.83 LMNA (0.43) KDM4EMEN1NPC1TP53MAPT
SCHEMBL5780867 0.83 PRKCI (0.66) PRKCIPRKCZ
Bicarbonate SCHEMBL7016998 0.82 PTPN12 (0.51) PTGS2PRKCIKDM4EMEN1NPC1
SCHEMBL8180183 0.80 ALDH1A1 (0.43) KDM4ENPC1GAAMAPTHPGD

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