SCHEMBL11076110

SCHEMBL11076110

CCOC(=O)c1nnc2n1-c1ccccc1C(c1ccccc1F)=NC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 9/20 0.51
GABRA5 P31644 2/20 0.48
GABRA2 P47869 2/20 0.48
GABRB2 P47870 2/20 0.48
GABRA1 P14867 1/20 0.48
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA3 P34903 1/20 0.47
BRD4 O60885 1/20 0.43
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TNNI3 P19429 1/20 0.40
CASP1 P29466 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
SCHEMBL11077003 0.88 GABRA1 (0.53) PTAFRGABRA5GABRA2GABRB2GABRA1
SCHEMBL11076943 0.87 BRD4 (0.52) GABRA5GABRA2GABRB2GABRA1GABRG2
SCHEMBL11730100 0.78 PTAFR (0.76) PTAFRGABRA5GABRA2GABRB2GABRA1
SCHEMBL7327273 0.76 OPRK1 (0.66) GABRA5GABRA2GABRB2GABRA1GABRG2
SCHEMBL11073512 0.75 PTAFR (0.53) PTAFRGABRA5GABRA2GABRB2GABRA1
SCHEMBL11607865 0.75 PTAFR (0.51) PTAFRGABRA5GABRA2GABRB2GABRA1
SCHEMBL11718798 0.75 PTAFR (0.50) PTAFRGABRA5GABRA2GABRB2GABRA1
SCHEMBL5354780 0.75 BRD4 (0.52) GABRA5GABRA2GABRB2GABRA1GABRG2
SCHEMBL11603427 0.74 PTAFR (0.50) PTAFRGABRA5GABRA2GABRB2GABRA1
SCHEMBL11713949 0.74 PTAFR (0.52) PTAFRGABRA5GABRA2GABRB2GABRA1

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
US-4427590-A Triazolobenzodiazepine derivatives CIBA-GEIGY CORPORATION (US) 1984-01-24 US disclosed