SCHEMBL11575757

SCHEMBL11575757

CCS(=O)(=O)CN1C(=O)CN=C(c2ccccc2)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.60
GABRG2 P18507 1/20 0.60
GABRB3 P28472 1/20 0.60
GABRA5 P31644 1/20 0.60
CCKBR P32239 1/20 0.60
GABRA3 P34903 1/20 0.60
GABRA2 P47869 1/20 0.60
GABRB2 P47870 1/20 0.60
NPSR1 Q6W5P4 2/20 0.58
GAA P10253 2/20 0.58
HTT P42858 1/20 0.58
GPR55 Q9Y2T6 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL11576814 0.89 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA5CCKBR
SCHEMBL11580068 0.86 OPRK1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11576613 0.86 GABRA1 (0.65) GABRA1GABRG2GABRB3GABRA5CCKBR
SCHEMBL7541208 0.85 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5CCKBR
SCHEMBL11578291 0.84 PDE4A (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11580050 0.84 NPSR1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11578674 0.84 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8851595 0.83 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5CCKBR
SCHEMBL11578233 0.83 LMNA (0.67) GABRA1GABRG2GABRB3GABRA5CCKBR
SCHEMBL11576361 0.81 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA5CCKBR

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-4079053-A Benzodiazepine derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-03-14 US disclosed
US-4010154-A Benzodiazepinones SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-03-01 US disclosed