SCHEMBL2915430

SCHEMBL2915430

CCOc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2c(=O)cc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.57
CYP3A4 P08684 3/20 0.37
BRPF1 P55201 1/20 0.33
BRD4 O60885 4/20 0.33
IKBKB O14920 2/20 0.33
CHUK O15111 2/20 0.33
EP300 Q09472 1/20 0.33
MTOR P42345 1/20 0.32
NR3C1 P04150 1/20 0.32
AR P10275 1/20 0.32
PIP4K2A P48426 2/20 0.32
PIP4K2B P78356 2/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
DHFR P00374 1/20 0.31
KIT P10721 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
SCHEMBL2913931 0.91 CRBN (0.69) CRBNCYP3A4BRPF1BRD4IKBKB
Alcohol SCHEMBL2909873 0.90 CRBN (0.64) CRBNCYP3A4BRPF1BRD4IKBKB
Water SCHEMBL2915433 0.90 CRBN (0.68) CRBNCYP3A4BRPF1BRD4IKBKB
Methyl Alcohol SCHEMBL2913736 0.89 CRBN (0.67) CRBNCYP3A4BRPF1BRD4IKBKB
Propanol SCHEMBL2911013 0.89 CRBN (0.62) CRBNCYP3A4BRPF1BRD4IKBKB
Ethyl Acetate SCHEMBL2913872 0.88 CRBN (0.59) CRBNCYP3A4BRD4IKBKBCHUK
Acetonitrile SCHEMBL2915375 0.87 CRBN (0.64) CRBNCYP3A4BRPF1BRD4IKBKB
Isopropyl Alcohol SCHEMBL2910113 0.87 CRBN (0.64) CRBNCYP3A4BRPF1BRD4IKBKB
SCHEMBL2913565 0.86 CRBN (0.58) CRBNCYP3A4BRPF1BRD4IKBKB
SCHEMBL3651415 0.85 CRBN (0.52) CRBNCYP3A4BRPF1BRD4IKBKB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
EP-2203431-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF Abbott Laboratories (US) 2010-07-07 EP disclosed
WO-2009039134-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed