SCHEMBL2588929

SCHEMBL2588929

CON(C)C(=O)c1nc2ccc(F)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.53
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
TNF P01375 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
NR2F2 P24468 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
MCL1 Q07820 1/20 0.50
KLF5 Q13887 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NOD1 Q9Y239 1/20 0.50
PDPK1 O15530 1/20 0.50
DYRK1A Q13627 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.47
APP P05067 2/20 0.46
PTPN1 P18031 1/20 0.45

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
SCHEMBL25368730 0.84 RAB9A (0.49) MAPTLMNAKMT2ASMN1; SMN2DYRK1A
SCHEMBL30040343 0.81 MAPT (0.64) MAPTKDM4EMEN1TNFLMNA
SCHEMBL25219141 0.81 MAPT (0.64) MAPTKDM4EMEN1TNFLMNA
SCHEMBL6983750 0.79 DYRK1A (0.61) RAD52MAPTKDM4EMEN1TNF
SCHEMBL14020422 0.79 HSD17B1 (0.57) MAPTKDM4EMEN1TNFLMNA
SCHEMBL3644141 0.77 PDPK1 (0.55) MAPTKDM4EMEN1TNFLMNA
SCHEMBL2656824 0.76 GFER (0.57) MAPTKDM4EMEN1TNFLMNA
SCHEMBL30770326 0.76 GFER (0.57) MAPTKDM4EMEN1TNFLMNA
SCHEMBL159986 0.76 CLK1 (0.60) LMNADYRK1ATRPM8
SCHEMBL6656001 0.75 MAPT (0.65) RAD52MAPTKDM4EMEN1TNF

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
EP-2566858-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS Pfizer Inc. (US) 2013-03-13 EP disclosed
WO-2011138751-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS PFIZER INC. (US) 2011-11-10 WO disclosed