SCHEMBL19670952

SCHEMBL19670952

CCCCc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccc(CCCC)cc5)c4)cc(N4c5ccc(Br)cc5Oc5cc(Br)ccc54)c3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
RARB P10826 3/20 0.36
EIF4A1 P60842 2/20 0.36
NPC1 O15118 2/20 0.36
NFKB1 P19838 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
PTPN1 P18031 1/20 0.35
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34

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
SCHEMBL12620346 0.85 HSD11B1 (0.42) HSD11B1EP300KAT2AKAT2BRARB
SCHEMBL12620278 0.85 HSD11B1 (0.42) HSD11B1EP300KAT2AKAT2BRARB
SCHEMBL812222 0.84 MGLL (0.41) EIF4A1NPC1NFKB1RAB9ANFKB2
SCHEMBL3359070 0.84 FAAH (0.46) RARBMEN1KMT2A
SCHEMBL12978627 0.84 AHR (0.39) HSD11B1EP300KAT2AKAT2BNPC1
SCHEMBL18083583 0.82 HSD11B1 (0.37) HSD11B1RARBNPC1NFKB1RAB9A
SCHEMBL10008304 0.82 NPC1 (0.42) HSD11B1EP300KAT2AKAT2BRARB
SCHEMBL12620350 0.81 HSD11B1 (0.43) HSD11B1RARBCTSVCTSLMEN1
SCHEMBL12620255 0.81 HSD11B1 (0.43) HSD11B1RARBCTSVCTSLMEN1
SCHEMBL12620353 0.80 HSD11B1 (0.42) HSD11B1RARBCTSVCTSLMEN1

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-9837612-B2 Polymer compound and light-emitting device using same SUMITOMO CHEMICAL COMPANY, LIMTED (JP) 2017-12-05 US disclosed