SCHEMBL11399292

SCHEMBL11399292

CCCc1nnc2n1-c1ccc(Cl)cc1C(SC)=NC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
TLR8 Q9NR97 9/20 0.53
OPRK1 P41145 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
RECQL P46063 1/20 0.47
GABRA1 P14867 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
LMNA P02545 2/20 0.44
BRD4 O60885 2/20 0.44
CNR1 P21554 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRG2 P18507 1/20 0.43
HTR2A P28223 1/20 0.43
GABRB3 P28472 1/20 0.43
ADRA1A P35348 1/20 0.43
PDE4D Q08499 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL11401211 0.86 GABRA1 (0.44) HPGDTLR8OPRK1SMN1; SMN2RECQL
SCHEMBL11402690 0.83 HPGD (0.43) HPGDTLR8OPRK1SMN1; SMN2RECQL
SCHEMBL11397719 0.82 GABRA1 (0.63) HPGDOPRK1SMN1; SMN2RECQLGABRA1
SCHEMBL7323544 0.80 OPRK1 (0.77) HPGDOPRK1SMN1; SMN2RECQLGABRA1
SCHEMBL11393787 0.80 OPRK1 (0.48) HPGDTLR8OPRK1SMN1; SMN2RECQL
SCHEMBL11405986 0.79 OPRK1 (0.48) HPGDTLR8OPRK1SMN1; SMN2RECQL
SCHEMBL11396264 0.78 OPRK1 (0.46) HPGDTLR8OPRK1SMN1; SMN2RECQL
SCHEMBL11392671 0.77 GABRA1 (0.46) HPGDOPRK1SMN1; SMN2RECQLGABRA1
SCHEMBL11398481 0.77 PTAFR (0.42) HPGDOPRK1SMN1; SMN2RECQLGABRA1
SCHEMBL11393711 0.76 OPRK1 (0.47) HPGDTLR8OPRK1SMN1; SMN2RECQL

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-4296239-A Amino-4H-s-triazolo[4,3-a][1,4]benzodiazepines THE UPJOHN COMPANY (US) 1981-10-20 US disclosed
US-4180668-A Piperidino-4H-s-triazolo[4,3-a][1,4]benzodiazepines THE UPJOHN COMPANY (US) 1979-12-25 US disclosed