SCHEMBL1754969

SCHEMBL1754969

CC(O)COC(C)CNC(=O)c1nc2ccccc2nc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA2A P29274 4/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
ADORA2B P29275 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ACR P10323 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
NAMPT P43490 1/20 0.34

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 0.81 MEN1 (0.39) MEN1KMT2ASMN1; SMN2KDM4EGLA
SCHEMBL13268043 0.71 MEN1 (0.39) MEN1KMT2ASMN1; SMN2KDM4EGLA
SCHEMBL20355964 0.71 HTT (0.46) SMN1; SMN2KDM4EMAPTMTNR1AMTNR1B
SCHEMBL18685198 0.69 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2KDM4EGLA
SCHEMBL13056570 0.69 NQO2 (0.46) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL18680081 0.68 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2KDM4EGLA
SCHEMBL1754974 0.68 BCHE (0.54) MEN1KMT2AGAA
SCHEMBL13056575 0.67 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL13056572 0.67 ALDH1A1 (0.37) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL23308057 0.66 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2KDM4EMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444806-A2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use Ventana Medical Systems, Inc. (US) 2012-04-25 EP disclosed
EP-2444807-A2 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE Ventana Medical Systems, Inc. (US) 2012-04-25 EP disclosed
EP-2442107-A2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use Ventana Medical Systems, Inc. (US) 2012-04-18 EP disclosed