SCHEMBL7294604

SCHEMBL7294604

O=C1CC2CCSc3ccccc3C2=NN1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
PTGS1 P23219 1/20 0.38
DRD3 P35462 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL7292065 0.92 HTT (0.37) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7291459 0.92 CNR2 (0.36) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7289330 0.91 MIF (0.34) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7287387 0.91 GAA (0.34) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7286210 0.91 GABRP (0.41) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL10569584 0.91 KDM4E (0.38) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7288071 0.89 KMT2A (0.43) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7290542 0.88 MAPT (0.41) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7286216 0.88 IDO1 (0.34) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL10562323 0.87 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1250383-A None JP disclosed
EP-0281045-B1 BENZOTHIEPINO (5,4-C) PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1991-12-27 EP disclosed
JP-H01250383-A BENZOTHIEPINO(5,4-C)PYRIDAZINE COMPOUND YOSHITOMI PHARMACEUT IND LTD 1989-10-05 JP 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