SCHEMBL28115750

SCHEMBL28115750

C[C@H](O)CNC(=O)c1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
MEN1 O00255 3/20 0.69
THRB P10828 1/20 0.64
EPHX2 P34913 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 3/20 0.55
TP53 P04637 2/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL8722504 1.00 KMT2A (0.69) KMT2AMEN1THRBEPHX2CYP1A2
SCHEMBL3819701 0.89 KMT2A (0.71) KMT2AMEN1THRBEPHX2CYP1A2
SCHEMBL10894686 0.86 KMT2A (0.68) KMT2AMEN1THRBEPHX2CYP1A2
SCHEMBL3963197 0.86 KMT2A (0.68) KMT2AMEN1THRBEPHX2CYP1A2
SCHEMBL4418666 0.85 KMT2A (0.66) KMT2AMEN1THRBEPHX2CYP1A2
Nicaraven SCHEMBL677580 0.85 KMT2A (0.66) KMT2AMEN1THRBEPHX2CYP1A2
SCHEMBL5553293 0.85 KMT2A (0.66) KMT2AMEN1THRBEPHX2CYP1A2
Nicaraven SCHEMBL31420006 0.85 KMT2A (0.66) KMT2AMEN1THRBEPHX2CYP1A2
SCHEMBL26604262 0.84 KMT2A (0.61) KMT2AMEN1THRBEPHX2CYP1A2
SCHEMBL26604260 0.84 KMT2A (0.61) KMT2AMEN1THRBEPHX2CYP1A2

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
CN-109045032-A Aminopyridines and application method 麦迪威森技术有限责任公司 2018-12-21 CN disclosed
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
CN-106132950-A Compounds and methods of use 麦迪韦逊技术股份有限公司 2016-11-16 CN disclosed