SCHEMBL7286803

SCHEMBL7286803

O=C1CC2CCSc3ccc(Cl)cc3C2=NN1c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.42
ELOC Q15369 1/20 0.42
ELOB Q15370 1/20 0.42
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL7297582 0.92 MAPT (0.41) VHLELOCELOBMAPTALDH1A1
SCHEMBL7288749 0.91 GRM5 (0.36) VHLELOCELOBMAPTALDH1A1
SCHEMBL7287753 0.91 MAPT (0.39) VHLELOCELOBMAPTALDH1A1
SCHEMBL7295253 0.91 APP (0.38) VHLELOCELOBMAPTALDH1A1
SCHEMBL7287890 0.89 RYR2 (0.40) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL7286210 0.89 GABRP (0.41) VHLELOCELOBMAPTALDH1A1
SCHEMBL10556208 0.88 MAPT (0.40) VHLELOCELOBMAPTALDH1A1
SCHEMBL7286064 0.86 MAPT (0.39) VHLELOCELOBMAPTALDH1A1
SCHEMBL7297343 0.85 CNR2 (0.34) ALDH1A1KMT2AMEN1KDM4EGRM5
SCHEMBL10570570 0.85 KDM4E (0.37) MAPTALDH1A1KMT2AMEN1HTT

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