SCHEMBL7962855

SCHEMBL7962855

COC(=O)c1c(C#N)c(-c2cccnc2F)n2c1C(O)CCC2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.37
HCRTR2 O43614 9/20 0.37
KCNMA1 Q12791 2/20 0.36
ABL1 P00519 2/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
USP30 Q70CQ3 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4D Q08499 1/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33

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
SCHEMBL7963132 0.90 PDE4B (0.34) HCRTR1HCRTR2KCNMA1ABL1PDE4B
SCHEMBL7963885 0.89 KCNMA1 (0.36) HCRTR1HCRTR2KCNMA1KMT2AMEN1
SCHEMBL8327934 0.89 DHODH (0.35) KCNMA1ABL1KMT2APDE4BPDE4D
SCHEMBL7961440 0.88 KDM4E (0.35) KCNMA1ABL1PDE4BPDE4D
SCHEMBL7967665 0.87 ABL1 (0.35) HCRTR1HCRTR2ABL1KMT2AMEN1
SCHEMBL7964731 0.86 FPR1 (0.35) ABL1KMT2AMEN1ALDH1A1PDE4B
SCHEMBL7962621 0.86 ABL1 (0.35) HCRTR1HCRTR2ABL1KMT2AMEN1
SCHEMBL7965416 0.84 ABL1 (0.37) HCRTR1ABL1KMT2AMEN1CDC7
SCHEMBL7961767 0.84 KCNMA1 (0.38) KCNMA1ABL1PDE4BPDE4D
SCHEMBL7965300 0.83 KCNMA1 (0.34) HCRTR1HCRTR2KCNMA1ABL1USP30

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