SCHEMBL10182199

SCHEMBL10182199

COc1ccc(NC(=O)c2cc(C3CC=CO3)ccn2)cc1C(=O)NCCCN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CFTR P13569 2/20 0.38
GRM4 Q14833 7/20 0.38
LRRK2 Q5S007 2/20 0.37
PDE5A O76074 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 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
SCHEMBL10182402 0.85 CHRNB4 (0.39) SMN1; SMN2LRRK2MAPT
SCHEMBL569768 0.78 MEN1 (0.49) NPC1RAB9AKDM4ESMN1; SMN2CFTR
SCHEMBL10083554 0.73 KMT2A (0.44) LRRK2ALDH1A1KMT2AMAPTHSD17B10
SCHEMBL569321 0.72 MEN1 (0.68) NPC1RAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL10182349 0.72 CFTR (0.43) NPC1RAB9AKDM4ESMN1; SMN2CFTR
SCHEMBL10182704 0.71 CHRNB4 (0.39) SMN1; SMN2LRRK2
SCHEMBL570393 0.71 DRD2 (0.47) NPC1RAB9AKDM4ESMN1; SMN2GRM4
SCHEMBL10182208 0.71 CFTR (0.51) NPC1RAB9AKDM4ESMN1; SMN2CFTR
SCHEMBL10182336 0.71 TP53 (0.58) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL570223 0.71 CHRNB4 (0.42) SMN1; SMN2LRRK2ALDH1A1CYP1A2CYP2C19

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-2012017021-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-09 WO disclosed