SCHEMBL23647652

SCHEMBL23647652

COc1ccc(C2(C(N)=O)CCN(C(=O)O)CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.43
LMNA P02545 1/20 0.41
KCNH2 Q12809 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
NPY1R P25929 1/20 0.40
SLC6A4 P31645 1/20 0.40
TET3 O43151 1/20 0.39
KMT2A Q03164 1/20 0.39
FBXL19 Q6PCT2 1/20 0.39
CXXC5 Q7LFL8 1/20 0.39
TET1 Q8NFU7 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
CXXC4 Q9H2H0 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HSD11B1 P28845 1/20 0.37
TACR2 P21452 4/20 0.36
TACR1 P25103 4/20 0.36
MLYCD O95822 1/20 0.36

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
SCHEMBL6177725 0.87 NNMT (0.53) NNMTLMNAMKNK1MKNK2KMT2A
SCHEMBL29730575 0.87 NNMT (0.53) NNMTLMNAMKNK1MKNK2KMT2A
SCHEMBL26633645 0.85 GPR119 (0.48) NNMT
SCHEMBL31158308 0.85 GPR119 (0.48) NNMT
SCHEMBL3662100 0.83 LMNA (0.43) NNMTLMNAKCNH2NPY1RSLC6A4
SCHEMBL23647537 0.81 HSD11B1 (0.41) KCNH2NPY1RSLC6A4TET3KMT2A
SCHEMBL23647376 0.80 KMT2A (0.59) LMNATET3KMT2AFBXL19CXXC5
SCHEMBL2790975 0.79 ALDH1A1 (0.40) NNMTLMNAKCNH2NPY1RSLC6A4
SCHEMBL3258917 0.77 NNMT (0.46) NNMTLMNAMKNK1MKNK2TET3
SCHEMBL23112352 0.75 NNMT (0.42) NNMTLMNAKCNH2MKNK1MKNK2

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
WO-2021143680-A1 HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2021-07-22 WO disclosed