SCHEMBL28105247

SCHEMBL28105247

[CH2]c1ccc(Cn2ccccc2=O)nc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.36
KLKB1 P03952 8/20 0.34
KLK1 P06870 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
PKM P14618 1/20 0.33
PRMT5 O14744 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL31068166 0.81 POLB (0.44) POLBNPSR1L3MBTL1KLKB1KLK1
SCHEMBL29348988 0.81 POLB (0.44) POLBNPSR1L3MBTL1KLKB1KLK1
SCHEMBL21985427 0.81 POLB (0.44) POLBNPSR1L3MBTL1KLKB1SMN1; SMN2
SCHEMBL27033279 0.79 KLKB1 (0.48) POLBNPSR1KLKB1KLK1
SCHEMBL29859925 0.79 KLKB1 (0.48) POLBNPSR1KLKB1KLK1
SCHEMBL29859871 0.79 POLB (0.45) POLBNPSR1L3MBTL1KLKB1KLK1
SCHEMBL16880842 0.79 POLB (0.45) POLBNPSR1L3MBTL1KLKB1KLK1
SCHEMBL16880843 0.79 POLB (0.42) POLBNPSR1KLKB1KLK1
SCHEMBL28376490 0.78 LMNA (0.47) POLBNPSR1KLKB1KLK1LMNA
SCHEMBL21169913 0.78 PRMT5 (0.44) POLBNPSR1L3MBTL1KLKB1KLK1

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
CN-106061480-A Therapeutic inhibitory compounds 莱福斯希医药公司 2016-10-26 CN disclosed