SCHEMBL7288071

SCHEMBL7288071

O=C1CC2CCSc3ccccc3C2=NN1c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MAPT P10636 5/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 4/20 0.38
GFER P55789 2/20 0.38
CASP6 P55212 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PRKCZ Q05513 1/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GRM5 P41594 1/20 0.34
ACHE P22303 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL10559039 0.89 KMT2A (0.44) KMT2AMAPTGAAKDM4EALDH1A1
SCHEMBL7286210 0.89 GABRP (0.41) KMT2AMAPTKDM4EALDH1A1MEN1
SCHEMBL7294604 0.89 PDE4A (0.39) KMT2AMAPTGAAKDM4EALDH1A1
SCHEMBL7289645 0.88 GAA (0.35) KMT2AMAPTGAAALDH1A1MEN1
SCHEMBL7287572 0.85 LMNA (0.40) KMT2AMAPTGAAKDM4EALDH1A1
SCHEMBL7291459 0.83 CNR2 (0.36) MAPTSMN1; SMN2GRM5ACHETP53
SCHEMBL7292065 0.83 HTT (0.37) KMT2AMAPTGAAKDM4EALDH1A1
SCHEMBL7289330 0.82 MIF (0.34) KDM4EPRKCZPOLBACHE
SCHEMBL7286803 0.82 VHL (0.42) KMT2AMAPTGAAKDM4EALDH1A1
SCHEMBL7287753 0.82 MAPT (0.39) KMT2AMAPTGAAKDM4EALDH1A1

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