SCHEMBL623377

SCHEMBL623377

Cc1[c][nH]nc1-c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
RPS6KB2 Q9UBS0 4/20 0.40
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALPL P05186 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 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
SCHEMBL28454459 0.72 RPS6KB2 (0.50) MAPTRPS6KB2ADORA2AADORA1KDM4E
SCHEMBL11624487 0.69 RPS6KB2 (0.44) MAPTRPS6KB2ADORA2AADORA1KDM4E
SCHEMBL624711 0.68 MEN1 (0.45) MAPTRPS6KB2ADORA2AKDM4EALDH1A1
SCHEMBL1907213 0.68 MAPT (0.41) MAPTRPS6KB2ADORA2AADORA1KDM4E
SCHEMBL28251777 0.67 MAPT (0.57) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL11485920 0.66 MAPT (0.42) MAPTRPS6KB2KDM4EALDH1A1HPGD
SCHEMBL1701249 0.65 KDM4E (0.41) MAPTRPS6KB2ADORA2AKDM4EALDH1A1
SCHEMBL5210609 0.65 SMN1; SMN2 (0.49) MAPTADORA2AADORA1KDM4EALDH1A1
SCHEMBL26672756 0.65 GPR119 (0.59) MAPTRPS6KB2ADORA2AKDM4EALDH1A1
SCHEMBL14334168 0.64 SMPD3 (0.60) MAPTADORA2AADORA1KDM4EALDH1A1

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