SCHEMBL7288041

SCHEMBL7288041

Cc1ccc(N2N=C3c4cccc(Cl)c4SCCC3CC2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GRM5 P41594 1/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CNR1 P21554 1/20 0.32
USP2 O75604 1/20 0.31
APP P05067 1/20 0.31
PDE4A P27815 1/20 0.31

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
SCHEMBL7298559 0.93 GABRP (0.38) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL7292065 0.82 HTT (0.37) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL10559619 0.81 GABRP (0.39) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL7289175 0.80 MAPT (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL7286064 0.79 MAPT (0.39) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL10570570 0.78 KDM4E (0.37) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL7295183 0.77 PDE4A (0.40) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL7286210 0.77 GABRP (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL7297582 0.77 MAPT (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL7379926 0.76 MAPT (0.33) MAPTALDH1A1KMT2AMEN1LMNA

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
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