SCHEMBL1671583

SCHEMBL1671583

Cc1cn(-c2ccc(O)cc2F)c(-c2c(C)noc2C)c1C(=N)NO

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.33
FTO Q9C0B1 3/20 0.32
ERN1 O75460 1/20 0.32
NPY2R P49146 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
APEX1 P27695 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1682549 0.83 BRD4 (0.35) BRD4FTOERN1NPY2RHTT
SCHEMBL1671580 0.82 BRD4 (0.33) BRD4FTOERN1
SCHEMBL1671582 0.82 BRD4 (0.33) BRD4FTOERN1
SCHEMBL11898521 0.79 NPY2R (0.33) BRD4FTOERN1NPY2R
SCHEMBL1077880 0.79 ALOX15 (0.37) BRD4FTONPY2RMEN1USP2
SCHEMBL1035934 0.78 FTO (0.35) BRD4FTOERN1NPY2RALDH1A1
SCHEMBL1682455 0.78 NPY2R (0.32) BRD4FTONPY2R
SCHEMBL11898664 0.76 BRD4 (0.33) BRD4FTOERN1HTT
SCHEMBL11898894 0.73 BRD4 (0.33) BRD4FTO
SCHEMBL1670490 0.71 BRD4 (0.35) BRD4ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011042477-A1 SUBSTITUTED PYRROLES AND IMIDAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed