SCHEMBL44570

SCHEMBL44570

O=S(=O)(NCc1cccc(-c2cn3ncccc3n2)c1)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
POLB P06746 1/20 0.40
CYP19A1 P11511 2/20 0.40
KAT6A Q92794 4/20 0.39
AKT1 P31749 1/20 0.39
NR3C2 P08235 1/20 0.38
KMT2A Q03164 2/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CG P48736 1/20 0.37
NPY5R Q15761 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL44400 0.88 ALDH1A1 (0.45) CNR1POLBCYP19A1NR3C2KMT2A
SCHEMBL44612 0.88 TSHR (0.42) POLBCYP19A1NR3C2KMT2APIK3CD
SCHEMBL44668 0.85 CYP19A1 (0.56) CNR1POLBCYP19A1KMT2APIK3CD
SCHEMBL44396 0.81 KAT6A (0.38) POLBKAT6AAKT1NR3C2NPY5R
SCHEMBL44344 0.80 TP53 (0.45) CYP19A1AKT1KMT2APIK3CDPIK3CG
SCHEMBL12926166 0.78 PIK3CD (0.41) POLBCYP19A1KMT2APIK3CDPIK3CG
SCHEMBL38873 0.78 CYP19A1 (0.47) CYP19A1NR3C2PIK3CDPIK3CG
SCHEMBL44258 0.77 CYP19A1 (0.60) POLBCYP19A1KMT2APIK3CDPIK3CG
SCHEMBL22489801 0.76 PRMT6 (0.51) CNR1CYP19A1KAT6AAKT1NR3C2
SCHEMBL45229 0.76 TP53 (0.41) CNR1POLBCYP19A1KAT6ANR3C2

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
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO claimed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed