SCHEMBL8186191

SCHEMBL8186191

COC(=O)c1ccc(-c2nc(NCCc3ccccc3)c3c(Cl)c(C)sc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 2/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL8184526 0.91 PRKCI (0.46) PRKCIPDE5A
SCHEMBL8181051 0.90 PRKCI (0.51) PRKCIALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL8170976 0.90 CA1 (0.47) PRKCIMAPTALDH1A1LMNATP53
SCHEMBL5122356 0.84 PRKCI (0.60) PRKCIPDE5AKDM4EGAA
SCHEMBL8180286 0.84 CNR2 (0.42) MAPTALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL8184338 0.84 CNR2 (0.42) MAPTALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL8187376 0.83 MGLL (0.44) PRKCIMGLLMAPTALDH1A1LMNA
SCHEMBL8180529 0.82 PDE5A (0.47) PRKCIMGLLMAPTALDH1A1LMNA
SCHEMBL8185543 0.82 KDM4E (0.47) MAPTALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL8171294 0.81 PRKCI (0.53) PRKCIALDH1A1LMNASMN1; SMN2KDM4E

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