SCHEMBL7295253

SCHEMBL7295253

COc1ccc(N2N=C3c4cc(Cl)ccc4SCCC3CC2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.38
VHL P40337 1/20 0.37
ELOC Q15369 1/20 0.37
ELOB Q15370 1/20 0.37
GRM5 P41594 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 2/20 0.36
MAOB P27338 2/20 0.36
RYR2 Q92736 1/20 0.35
AMY1A P0DUB6 3/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOA P21397 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35

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
SCHEMBL7287890 0.94 RYR2 (0.40) APPGRM5MEN1KMT2AATM
SCHEMBL7286803 0.91 VHL (0.42) VHLELOCELOBGRM5MEN1
SCHEMBL7298130 0.88 KMT2A (0.39) APPGRM5MEN1KMT2AATM
SCHEMBL7290542 0.86 MAPT (0.41) APPMEN1KMT2AATMMAPT
SCHEMBL7297582 0.86 MAPT (0.41) VHLELOCELOBGRM5MEN1
SCHEMBL10559167 0.84 AMY1A (0.40) APPGRM5MEN1KMT2AMAPT
SCHEMBL7288749 0.83 GRM5 (0.36) VHLELOCELOBGRM5MEN1
SCHEMBL7287753 0.82 MAPT (0.39) VHLELOCELOBGRM5MEN1
SCHEMBL7286064 0.82 MAPT (0.39) VHLELOCELOBGRM5MEN1
SCHEMBL10560262 0.81 APP (0.42) APPMEN1KMT2AATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281045-B1 BENZOTHIEPINO (5,4-C) PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1991-12-27 EP disclosed
US-4849421-A SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-07-18 US disclosed
EP-0281045-A1 Benzothiepino (5,4-c) pyridazine compounds and their pharmaceutical uses Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-09-07 EP disclosed