SCHEMBL625106

SCHEMBL625106

COc1ccc(NC(=O)Nc2ncc(C)s2)cc1C(=O)NCCCN

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
MITF O75030 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MCHR1 Q99705 5/20 0.44
ALOX12 P18054 1/20 0.43
MAPK10 P53779 1/20 0.43
LRRK2 Q5S007 1/20 0.43
GAA P10253 1/20 0.43
QPCT Q16769 2/20 0.41

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
SCHEMBL624218 0.84 KCNMA1 (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL623943 0.82 MEN1 (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL625028 0.81 DYRK1A (0.52) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL625901 0.81 NPC1 (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL625958 0.80 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL10083543 0.80 MCHR1 (0.47) MCHR1GAA
SCHEMBL10083554 0.78 KMT2A (0.44) ALDH1A1LMNAKMT2AMAPTMCHR1
SCHEMBL10083535 0.78 DDX3X (0.49) KMT2AMEN1MAPTMCHR1
SCHEMBL624357 0.78 RAB9A (0.51) RAB9ASMN1; SMN2NPC1LMNAKMT2A
SCHEMBL625180 0.77 ADORA3 (0.53) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1

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-2012020080-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY II GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-16 WO disclosed