SCHEMBL7967142

SCHEMBL7967142

COC(=O)c1c(OC)c(-c2cccnc2F)n2c1C=CCC2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.34
GSK3B P49841 1/20 0.34
CDC7 O00311 5/20 0.33
DBF4 Q9UBU7 5/20 0.33
TDP2 O95551 1/20 0.32
BDKRB1 P46663 2/20 0.32
PDE4A P27815 1/20 0.32
DHODH Q02127 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ABL1 P00519 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL8329745 0.91 DHODH (0.38) IDO1GSK3BPDE4ADHODH
SCHEMBL7963168 0.91 GSK3B (0.32) GSK3BPDE4ADHODH
SCHEMBL7964216 0.90 SQOR (0.35) GSK3BDHODH
SCHEMBL7965052 0.89 DHODH (0.36) IDO1GSK3BCDC7DBF4TDP2
SCHEMBL7961242 0.88 IDO1 (0.34) IDO1TDP2DHODHMEN1KMT2A
SCHEMBL7967474 0.88 HSP90AA1 (0.35) IDO1GSK3BCDC7DBF4TDP2
SCHEMBL7952777 0.86 IDO1 (0.35) IDO1GSK3BCDC7DBF4TDP2
SCHEMBL7967763 0.85 HCRTR1 (0.35) IDO1CDC7DBF4TDP2BDKRB1
SCHEMBL7964496 0.79 CYP11B2 (0.35)
SCHEMBL7964018 0.79 GABRA1 (0.40) ABL1MEN1KMT2A

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-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US claimed
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US disclosed