SCHEMBL28199719

SCHEMBL28199719

CC(C)(C)c1ccc(C(=O)Nc2ccccc2Nc2cccc(Br)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NR1H4 Q96RI1 9/20 0.56
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GLA P06280 1/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HDAC3 O15379 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAPT P10636 1/20 0.52
RECQL P46063 1/20 0.52
PPARG P37231 4/20 0.52
PPARA Q07869 3/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51

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
SCHEMBL9611892 0.87 MEN1 (0.57) KCNK9SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL7296707 0.85 KCNK9 (0.73) KCNK9SMN1; SMN2MEN1KMT2ANR1H4
SCHEMBL5229972 0.79 NPC1 (0.59) KCNK9SMN1; SMN2NR1H4NPC1ALDH1A1
SCHEMBL17834297 0.79 MEN1 (0.57) KCNK9SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5223315 0.78 RAB9A (0.73) KCNK9SMN1; SMN2MEN1KMT2ANR1H4
SCHEMBL21588672 0.78 SMN1; SMN2 (0.76) KCNK9SMN1; SMN2MEN1KMT2ANR1H4
SCHEMBL3288511 0.77 RAB9A (0.68) KCNK9SMN1; SMN2MEN1KMT2ANR1H4
SCHEMBL339194 0.77 MEN1 (0.71) MEN1KMT2ANPC1RAB9AHDAC3
SCHEMBL12946208 0.75 MEN1 (0.69) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL15451570 0.75 GAA (0.70) SMN1; SMN2KMT2ANPC1ALDH1A1RAB9A

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
CN-107540663-B Soluble bipolar host material with high glass transition temperature, and preparation and application thereof 华南理工大学 2020-04-28 CN disclosed
CN-107540663-A Soluble high glass-transition temperature bipolar host material and its preparation and application 华南理工大学 2018-01-05 CN disclosed