SCHEMBL19974737

SCHEMBL19974737

Cc1ccccc1N(C=O)C(C)C(O)C(=O)NCc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.44
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
PTGER1 P34995 1/20 0.40
HCRTR1 O43613 1/20 0.40
SLC2A1 P11166 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ADAM17 P78536 1/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL19975405 0.87 MASP2 (0.49) MASP2RXFP1LMNAKMT2AMEN1
SCHEMBL19974978 0.87 CTSD (0.44) MASP2LMNAALDH1A1
SCHEMBL19974811 0.82 MASP2 (0.47) MASP2RXFP1LMNAKMT2ASLC2A1
SCHEMBL19974952 0.81 ALDH1A1 (0.50) MASP2LMNAKMT2AMEN1ALDH1A1
SCHEMBL19975435 0.81 MASP2 (0.46) MASP2RXFP1LMNAKMT2ASLC2A1
SCHEMBL19975389 0.80 CTSD (0.42) MASP2LMNAKMT2AMEN1ALDH1A1
SCHEMBL19975242 0.80 OPRM1 (0.42) MASP2LMNAALDH1A1
SCHEMBL19975564 0.80 MASP2 (0.48) MASP2RXFP1LMNAKMT2AMEN1
SCHEMBL19975156 0.80 ALDH1A1 (0.54) LMNAKMT2AMEN1ALDH1A1
SCHEMBL21176256 0.78 ALDH1A1 (0.45) MASP2LMNAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO disclosed