SCHEMBL2836743

SCHEMBL2836743

NC(=O)[C@@H](N)CN(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
KCNH2 Q12809 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
EPHX1 P07099 1/20 0.38
LTA4H P09960 1/20 0.38

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
SCHEMBL626680 0.87 ALPI (0.35) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL626679 0.87 ALPI (0.35) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL626690 0.87 ALPI (0.35) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4199918 0.86 ALPI (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4199926 0.86 ALPI (0.52) ALPIPKMPTGS1XIAPSLC7A5
Water SCHEMBL15012669 0.85 ALPI (0.34) ALPIPKMPTGS1XIAPSLC7A5
Water SCHEMBL15012752 0.85 ALPI (0.34) ALPIPKMPTGS1XIAPSLC7A5
Water SCHEMBL15012398 0.85 ALPI (0.34) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2704117 0.83 FFAR1 (0.43) POLBALDH1A1KMT2ATSHRHDAC1
SCHEMBL609514 0.81 ALDH1A1 (0.43) ALPIPKMPTGS1XIAPSLC7A5

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
EP-1530568-B1 INDOLE OR BENZIMIDAZOLE DERIVATIVES FOR MODULATING I&kB KINASE SANOFI AVENTIS DEUTSCHLAND (DE) 2010-12-29 EP claimed