SCHEMBL14960465

SCHEMBL14960465

CNC(=O)c1ccc(NC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
PLK1 P53350 4/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
TP53 P04637 3/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MMP13 P45452 1/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL4401957 0.84 CA12 (0.47) HPGDALDH1A1MEN1KMT2ARAB9A
SCHEMBL4402097 0.82 SMN1; SMN2 (0.49) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4399509 0.82 NPC1 (0.54) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4403971 0.82 ALDH1A1 (0.42) HPGDALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL9086106 0.80 GAA (0.44) HPGDALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL22755094 0.80 ALDH1A1 (0.40) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1205198 0.79 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2TSHRHTTMEN1
SCHEMBL12995665 0.78 PSMB8 (0.46)
SCHEMBL1162081 0.78 MAPT (0.51) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15836548 0.78 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TSHRHDAC2HDAC8

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-8445292-B2 Compounds and methods for rapid labeling of N-glycans PROZYME, INC. (US) 2013-05-21 US disclosed