SCHEMBL9684958

SCHEMBL9684958

O=C1CN=C(c2ccn[nH]2)c2cc(Cl)ccc2N1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ CNR1 P21554 1/20 0.64
▸ NTSR1 P30989 1/20 0.64
▸ OPRK1 P41145 1/20 0.64
▸ PDE4D Q08499 1/20 0.64
▸ GABRA1 P14867 6/20 0.63
▸ GABRA5 P31644 6/20 0.63
▸ GABRA3 P34903 6/20 0.63
▸ GABRA2 P47869 6/20 0.63
▸ GABRB2 P47870 5/20 0.63
▸ GABRG2 P18507 4/20 0.63
▸ GABRB3 P28472 4/20 0.63
▸ GABRP O00591 3/20 0.63
▸ GABRD O14764 3/20 0.63
▸ GABRB1 P18505 3/20 0.63
▸ GABRA4 P48169 3/20 0.63
▸ GABRE P78334 3/20 0.63
▸ GABRA6 Q16445 3/20 0.63
▸ GABRG1 Q8N1C3 3/20 0.63

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
SCHEMBL8844868 0.82 KMT2A (1.00) KMT2AMEN1CNR1NTSR1OPRK1
SCHEMBL30289323 0.82 KMT2A (1.00) KMT2AMEN1CNR1NTSR1OPRK1
SCHEMBL9519475 0.81 KMT2A (0.67) KMT2AMEN1CNR1NTSR1OPRK1
SCHEMBL9684191 0.81 KMT2A (0.71) KMT2AMEN1CNR1NTSR1OPRK1
Nordazepam SCHEMBL8090999 0.78 PDE4D (1.00) KMT2AMEN1CNR1NTSR1OPRK1
Nordazepam SCHEMBL31000330 0.78 PDE4D (1.00) KMT2AMEN1CNR1NTSR1OPRK1
Nordazepam SCHEMBL29354494 0.78 PDE4D (1.00) KMT2AMEN1CNR1NTSR1OPRK1
Nordazepam SCHEMBL78453 0.78 PDE4D (1.00) KMT2AMEN1CNR1NTSR1OPRK1
Delorazepam SCHEMBL29375434 0.77 GABRA1 (1.00) KMT2AMEN1CNR1NTSR1OPRK1
Delorazepam SCHEMBL32681132 0.77 GABRA1 (1.00) KMT2AMEN1CNR1NTSR1OPRK1

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
EP-0491218-A1 Benzodiazepinones F. HOFFMANN-LA ROCHE AG (CH) 1992-06-24 — — EP claimed
EP-0491218-A1 Benzodiazepinones F. HOFFMANN-LA ROCHE AG (CH) 1992-06-24 — — EP disclosed
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