SCHEMBL7965416

SCHEMBL7965416

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.37
HCRTR1 O43613 8/20 0.35
IDO1 P14902 2/20 0.34
SCN9A Q15858 1/20 0.34
FPR1 P21462 2/20 0.33
FPR2 P25090 2/20 0.33
SMO Q99835 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL7963301 0.90 HCRTR1 (0.34) HCRTR1IDO1SCN9AMEN1KMT2A
SCHEMBL7965403 0.89 HCRTR1 (0.34) ABL1HCRTR1SCN9AFPR1FPR2
SCHEMBL8327360 0.88 DHODH (0.35) ABL1HCRTR1FPR1FPR2SMO
SCHEMBL7967665 0.87 ABL1 (0.35) ABL1HCRTR1IDO1CDC7DBF4
SCHEMBL7962948 0.87 PLAU (0.35) ABL1HCRTR1FPR1FPR2SMO
SCHEMBL7962621 0.87 ABL1 (0.35) ABL1HCRTR1IDO1SCN9ACDC7
SCHEMBL7964731 0.87 FPR1 (0.35) ABL1IDO1FPR1FPR2CDC7
SCHEMBL7962855 0.84 HCRTR1 (0.37) ABL1HCRTR1CDC7DBF4MEN1
SCHEMBL7963509 0.82 CFTR (0.40) ABL1HCRTR1CYP1A2HTR2AHTR2C
SCHEMBL8328159 0.80 DHODH (0.37) ABL1HCRTR1IDO1SCN9AKMT2A

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