SCHEMBL7961829

SCHEMBL7961829

COC(=O)c1c(Cl)c(-c2cccnc2F)n2c1C=C(OC)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.35
HSP90AA1 P07900 5/20 0.34
GSK3B P49841 2/20 0.33
CDC7 O00311 4/20 0.32
DBF4 Q9UBU7 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ABL1 P00519 1/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
PIM1 P11309 1/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
GSK3A P49840 1/20 0.32
DYRK1A Q13627 1/20 0.32
HSP90B1 P14625 3/20 0.32
TDP2 O95551 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7963272 0.91 GSK3B (0.32) GSK3BFPR1FPR2
SCHEMBL8328950 0.91 DHODH (0.37) IDO1GSK3BFPR1FPR2
SCHEMBL7952322 0.90 SQOR (0.34) GSK3BFPR1FPR2
SCHEMBL7961118 0.90 HSP90AA1 (0.35) IDO1HSP90AA1GSK3BCDC7DBF4
SCHEMBL7952692 0.90 IDO1 (0.36) IDO1HSP90AA1GSK3BCDC7DBF4
SCHEMBL7967474 0.82 HSP90AA1 (0.35) IDO1HSP90AA1GSK3BCDC7DBF4
SCHEMBL7965124 0.81 DHODH (0.32) MAPT
SCHEMBL8325837 0.81 DHODH (0.38) IDO1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL7965202 0.80 HPGD (0.32) HPGD
SCHEMBL7962634 0.80 CYP11B2 (0.36) ALDH1A1MAPTHPGD

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