SCHEMBL7967665

SCHEMBL7967665

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.35
DHODH Q02127 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CDC7 O00311 2/20 0.34
DBF4 Q9UBU7 2/20 0.34
OPRK1 P41145 4/20 0.34
IDO1 P14902 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TDP2 O95551 1/20 0.34
PTGS2 P35354 1/20 0.34
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 1/20 0.33
CDK5R1 Q15078 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CASP1 P29466 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
SCHEMBL7962621 0.89 ABL1 (0.35) ABL1MEN1KMT2ACDC7DBF4
SCHEMBL7964731 0.89 FPR1 (0.35) ABL1MEN1KMT2ACDC7DBF4
SCHEMBL8330824 0.89 DHODH (0.43) ABL1DHODHKMT2APTGS2HCRTR1
SCHEMBL7962693 0.89 DHODH (0.36) ABL1DHODHTDP2PTGS2HCRTR1
SCHEMBL7961108 0.88 DHODH (0.35) DHODHMEN1KMT2AOPRK1IDO1
SCHEMBL7953432 0.88 MKNK1 (0.37) ABL1DHODHPTGS2HCRTR1HCRTR2
SCHEMBL7965416 0.87 ABL1 (0.37) ABL1MEN1KMT2ACDC7DBF4
SCHEMBL7962855 0.87 HCRTR1 (0.37) ABL1MEN1KMT2ACDC7DBF4
SCHEMBL8328159 0.82 DHODH (0.37) ABL1DHODHKMT2AIDO1HCRTR1
SCHEMBL7964887 0.82 L3MBTL1 (0.33) ABL1DHODHALDH1A1CDK5DYRK1A

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