SCHEMBL9686742

SCHEMBL9686742

O=C1CNc2ccc(Cl)cc2C(c2ccc[nH]2)=N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ CNR1 P21554 2/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ GABRP O00591 2/20 0.39
▸ GABRD O14764 2/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRB1 P18505 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ GABRA3 P34903 2/20 0.39
▸ GABRA2 P47869 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ GABRA4 P48169 2/20 0.39
▸ GABRE P78334 2/20 0.39
▸ GABRA6 Q16445 2/20 0.39

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
SCHEMBL27486849 0.77 MEN1 (0.63) MEN1KMT2ACNR1NTSR1OPRK1
SCHEMBL30289323 0.74 KMT2A (1.00) MEN1KMT2ACNR1NTSR1OPRK1
SCHEMBL8844868 0.74 KMT2A (1.00) MEN1KMT2ACNR1NTSR1OPRK1
SCHEMBL9686097 0.70 MEN1 (0.75) MEN1KMT2ACNR1NTSR1OPRK1
SCHEMBL464739 0.70 MEN1 (0.60) MEN1KMT2ACNR1NTSR1OPRK1
SCHEMBL15400202 0.69 MEN1 (0.59) MEN1KMT2APDGFRBGABRA1GABRA5
Ro-24-7429 SCHEMBL29736766 0.68 MEN1 (0.70) MEN1KMT2ACNR1NTSR1OPRK1
SCHEMBL9737375 0.68 MEN1 (0.60) MEN1KMT2ACNR1NTSR1OPRK1
SCHEMBL7834014 0.66 CCNE2 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27357401 0.65 MEN1 (0.54) MEN1KMT2ACNR1NTSR1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0475231-A1 Benzodiazepines F. HOFFMANN-LA ROCHE AG (CH) 1992-03-18 — — EP disclosed
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