SCHEMBL8180855

SCHEMBL8180855

COC(=O)c1ccc(-c2nc(NCCc3ccccc3)c3c4c(sc3n2)CCCC4)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.59
▸ PRKCI P41743 16/20 0.55
▸ PRKCZ Q05513 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ HTT P42858 1/20 0.51

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
SCHEMBL8177997 0.91 PTGS2 (0.61) PTGS2PRKCIPRKCZSMN1; SMN2KDM4E
SCHEMBL8180415 0.91 PTGS2 (0.63) PTGS2PRKCIPRKCZSMN1; SMN2KDM4E
SCHEMBL8176873 0.86 PRKCI (0.50) PTGS2PRKCISMN1; SMN2HTT
SCHEMBL5781941 0.84 PRKCI (0.74) PRKCIPRKCZ
SCHEMBL8184514 0.84 PTGS2 (0.58) PTGS2PRKCISMN1; SMN2MEN1MAPT
SCHEMBL8181051 0.82 PRKCI (0.51) PRKCISMN1; SMN2KDM4EHTT
SCHEMBL8179988 0.81 PTGS2 (0.65) PTGS2PRKCIPRKCZSMN1; SMN2KDM4E
SCHEMBL8186810 0.81 PTGS2 (0.55) PTGS2PRKCIPRKCZ
SCHEMBL8186191 0.81 PRKCI (0.43) PRKCISMN1; SMN2KDM4EMEN1TP53
SCHEMBL8185547 0.81 PTGS2 (0.51) PTGS2PRKCISMN1; SMN2MEN1MAPT

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
Send feedback