SCHEMBL13268043

SCHEMBL13268043

CCC(C)CCOC(C)CCNC(=O)c1nc2ccccc2nc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 5/20 0.37
MAPT P10636 5/20 0.37
HPGD P15428 4/20 0.37
ATM Q13315 3/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 3/20 0.37
GLA P06280 2/20 0.37
BLM P54132 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
APAF1 O14727 1/20 0.37
USP2 O75604 1/20 0.37
NSD2 O96028 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL1754956 0.77 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL18685198 0.72 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL20355964 0.72 HTT (0.46) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL1754969 0.71 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL18680081 0.71 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL13056570 0.70 NQO2 (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL13056575 0.70 SMN1; SMN2 (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL13056572 0.70 ALDH1A1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL23308032 0.70 SMN1; SMN2 (0.43) ALDH1A1MAPTHPGDATMLMNA
SCHEMBL13056574 0.69 SMN1; SMN2 (0.48) ALDH1A1HPGDLMNASMN1; SMN2NPC1

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
US-20100184087-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. 2010-07-22 US disclosed