SCHEMBL10548032

SCHEMBL10548032

CCCCCCCCN1CCN(C(=O)NC(C(=O)N[C@H]2CN(C(=O)NS(=O)(=O)Nc3cc(C)on3)C2=O)c2ccccc2)C(=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ CCKBR P32239 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ SLC22A8 Q8TCC7 1/20 0.33
▸ SLC22A11 Q9NSA0 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ CASR P41180 1/20 0.32
▸ PLA2G2A P14555 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL10548753 0.90 LMNA (0.32) MEN1KMT2ANPSR1LMNAMAPT
SCHEMBL10414809 0.89 MEN1 (0.35) MEN1KMT2ACCKBRLMNAMAPT
SCHEMBL10548185 0.85 MAPT (0.37) KLK7MEN1KMT2ALMNAMAPT
SCHEMBL10548998 0.81 LMNA (0.36) MEN1KMT2ALMNAMAPTPDE3A
SCHEMBL10413404 0.80 MAPT (0.39) MEN1KMT2ACCKBRLMNAMAPT
SCHEMBL10544222 0.80 ALDH1A1 (0.32) TSHRTDP1ALDH1A1
SCHEMBL10413884 0.80 — —
SCHEMBL10551121 0.78 KMT2A (0.34) KLK7MEN1KMT2ACCKBRLMNA
SCHEMBL10547432 0.78 KMT2A (0.42) KLK7MEN1KMT2ALMNATHRB
SCHEMBL10551840 0.78 KMT2A (0.42) KLK7MEN1KMT2ALMNATSHR

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-4831130-A β-lactam antibacterial agents HOFFMANN-LA ROCHE INC. (US) 1989-05-16 — — US disclosed
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