SCHEMBL28865879

SCHEMBL28865879

CC[C@@H](CO)NC(=O)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.56
THRB P10828 1/20 0.56
RAB9A P51151 3/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 3/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
TP53 P04637 1/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC2 Q92769 1/20 0.51
GAA P10253 3/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.49
GFER P55789 1/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL16322351 1.00 ECE1 (0.56) ECE1THRBRAB9AALDH1A1LMNA
SCHEMBL29995369 0.92 ECE1 (0.60) ECE1THRBRAB9AALDH1A1LMNA
SCHEMBL24267375 0.92 ECE1 (0.60) ECE1THRBRAB9AALDH1A1LMNA
SCHEMBL13724316 0.91 THRB (0.63) ECE1THRBRAB9AALDH1A1LMNA
SCHEMBL29421299 0.89 LMNA (0.54) ECE1THRBRAB9AALDH1A1LMNA
SCHEMBL24298437 0.86 LMNA (0.54) ECE1THRBRAB9AALDH1A1LMNA
SCHEMBL9809554 0.83 HDAC1 (0.57) ECE1THRBRAB9AALDH1A1LMNA
SCHEMBL24567733 0.82 LMNA (0.67) ECE1THRBRAB9AALDH1A1LMNA
SCHEMBL21467402 0.82 LMNA (0.67) ECE1THRBRAB9AALDH1A1LMNA
SCHEMBL30557508 0.82 LMNA (0.67) ECE1THRBRAB9AALDH1A1LMNA

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
CN-106132950-B Aminopyridines and methods of use 麦迪威森技术有限责任公司 2018-11-09 CN disclosed