SCHEMBL7522396

SCHEMBL7522396

Clc1nc(-c2ccccn2)nc2sc3c(c12)CCCC3.Fc1ccc(CNc2nc(-c3ccccn3)nc3sc4c(c23)CCCC4)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PDE5A O76074 1/20 0.49
PRKCI P41743 11/20 0.49
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.48
PTGS2 P35354 1/20 0.48
GFER P55789 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
PRKCZ Q05513 1/20 0.45

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
SCHEMBL5781850 0.94 MEN1 (0.57) MEN1KMT2APDE5APRKCIMAPT
SCHEMBL5780203 0.89 PDE5A (0.62) MEN1KMT2APDE5APRKCIMAPT
SCHEMBL5816868 0.86 MEN1 (0.49) MEN1KMT2APDE5APRKCIMAPT
SCHEMBL5779654 0.85 MEN1 (0.54) MEN1KMT2APDE5APRKCIMAPT
SCHEMBL7617660 0.84 RAB9A (0.51) MEN1KMT2APRKCIMAPTSMN1; SMN2
SCHEMBL7170675 0.83 KDM4E (0.56) PRKCIMAPTHTTSMN1; SMN2PTGS2
SCHEMBL5781203 0.82 PRKCI (0.55) MEN1KMT2APDE5APRKCIMAPT
SCHEMBL7168076 0.82 MAPT (0.56) MEN1KMT2APDE5APRKCIMAPT
SCHEMBL5778488 0.81 MEN1 (0.51) MEN1KMT2APDE5APRKCIMAPT
SCHEMBL7410138 0.80 MEN1 (0.54) MEN1KMT2APDE5APRKCIMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed