SCHEMBL21392076

SCHEMBL21392076

COc1ccc(CN(SC2CC2)c2nccc(C(F)(C=O)C(C)C)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
APLNR P35414 9/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SLC2A1 P11166 1/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL22762439 0.86 LMNA (0.33) LMNAMAPTAPLNRALDH1A1SLC2A1
SCHEMBL21392335 0.83 MLYCD (0.35) MLYCDLMNAMAPTAPLNRALDH1A1
SCHEMBL21392148 0.83 LMNA (0.33) LMNAMAPTAPLNRALDH1A1SLC2A1
SCHEMBL21392038 0.79 MAPT (0.35) MLYCDLMNAMAPTKDM4E
SCHEMBL21392292 0.76 ALDH1A1 (0.35) LMNAMAPTALDH1A1POLBKDM4E
SCHEMBL21392168 0.71 APLNR (0.33) LMNAMAPTAPLNRALDH1A1L3MBTL1
SCHEMBL21392246 0.70 APLNR (0.35) LMNAAPLNRALDH1A1KDM4EMEN1
SCHEMBL21391987 0.69 CLK4 (0.36) LMNAMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL21392075 0.68 ALDH1A1 (0.35) LMNAMAPTAPLNRALDH1A1L3MBTL1
SCHEMBL25778776 0.67 CNR2 (0.34) LMNAMAPTAPLNRL3MBTL1

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-2019180244-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 WO disclosed