SCHEMBL570137

SCHEMBL570137

COc1ccc(NC(=O)c2n[nH]c(C(F)(F)F)c2C)cc1C(=O)NCCCN

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
PPARA Q07869 2/20 0.38
MCHR1 Q99705 4/20 0.38
PPARD Q03181 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KIT P10721 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LRRK2 Q5S007 2/20 0.36

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
SCHEMBL569240 0.83 MCHR1 (0.45) MCHR1MEN1KMT2AMAPT
SCHEMBL569399 0.82 TTK (0.39) MCHR1MEN1KMT2AKITMAPT
SCHEMBL569927 0.80 KIT (0.36) MCHR1MEN1KMT2AKITMAPT
SCHEMBL569973 0.80 CHEK1 (0.38) MCHR1KITLRRK2
SCHEMBL569267 0.80 MAPT (0.42) MEN1KMT2ANPC1MAPTHPGD
SCHEMBL569244 0.80 MAPT (0.43) MEN1KMT2ANPC1MAPTHPGD
SCHEMBL569785 0.80 HDAC8 (0.42) BACE1BACE2MCHR1MEN1KMT2A
SCHEMBL570358 0.80 ABL1 (0.43) KMT2AMAPTLRRK2
SCHEMBL570469 0.80 FLT3 (0.56) NPC1RAB9ASMN1; SMN2
SCHEMBL569395 0.80 ALDH1A1 (0.38) MCHR1MEN1KMT2ACYP1A2CYP2C9

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-2601208-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY Graffinity Pharmaceuticals GmbH (DE) 2013-06-12 EP disclosed
WO-2012017021-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-09 WO disclosed