SCHEMBL3418797

SCHEMBL3418797

O=C(O)Oc1sccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 4/20 0.32
GAA P10253 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.32
NR4A1 P22736 1/20 0.32

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
SCHEMBL27703251 0.86 POLB (0.39) POLBMAPTNPSR1NPC1PKM
SCHEMBL9409748 0.82 CUL4A (0.37) POLBMAPTNPSR1NPC1PKM
SCHEMBL28341914 0.81 KMT2A (0.40) POLBMAPTNPSR1NPC1PKM
SCHEMBL9351950 0.77 GSK3B (0.41) POLBMAPTNPC1PKMRAB9A
SCHEMBL10587921 0.77 KMT2A (0.37) POLBMAPTRAB9ALMNAALDH1A1
SCHEMBL3671086 0.77 KMT2A (0.33) POLBMAPTNPSR1NPC1RAB9A
SCHEMBL4636562 0.75 MAPT (0.40) POLBMAPTNPSR1PKMLMNA
SCHEMBL4634541 0.75 KMT2A (0.36) POLBMAPTNPC1RAB9ALMNA
SCHEMBL10369277 0.75 KDM4E (0.33) POLBMAPTLMNAALDH1A1KMT2A
SCHEMBL17629372 0.75 MAPT (0.33) POLBMAPTPKMRAB9ALMNA

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-2149551-A1 N-(indol-3-ylalkyl)-(hetero)arylamid derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP claimed
EP-2002834-A1 Aryl and hetaryl amides as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-12-17 EP disclosed