SCHEMBL21733005

SCHEMBL21733005

OC(COCc1ccccc1)Nc1cnc2cc(Br)ccc2c1NC1CCC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
CTSD P07339 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
HTR3A P46098 1/20 0.31
ALK Q9UM73 1/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
CCR5 P51681 1/20 0.31
PDE4B Q07343 1/20 0.31
PTGES O14684 1/20 0.31
LNPEP Q9UIQ6 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
SCHEMBL21723968 0.82 EHMT2 (0.40) EHMT2MEN1KMT2APKM
SCHEMBL21723726 0.69 TERT (0.39) KMT2APDE4B
SCHEMBL21723986 0.68 IRAK4 (0.40) ALKPDE4B
SCHEMBL21723944 0.64 GBA1 (0.38) POLB
SCHEMBL21724000 0.64 PTGES (0.42) POLBMEN1KMT2APTGES
SCHEMBL20475934 0.64 GBA1 (0.39) ALKMMP1MMP9MMP13PTGES
SCHEMBL30842221 0.64 GBA1 (0.39) ALKMMP1MMP9MMP13PTGES
SCHEMBL21724622 0.64 JAK1 (0.38) PTGES
SCHEMBL17272549 0.60 PDE4B (0.52) PDE4B
SCHEMBL20641726 0.59 ALK (0.44) ALKCCR5PTGES

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-2020037091-A1 IMIDAZO[4,5-C]QUINOLINE DERIVED NLRP3-MODULATORS INNATE TUMOR IMMUNITY, INC. (US) 2020-02-20 WO disclosed