SCHEMBL3399321

SCHEMBL3399321

Clc1ccccc1-c1cccc(OCc2cc(-c3ccccc3)[nH]n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PRKDC P78527 1/20 0.40
FABP4 P15090 1/20 0.39
NPC1 O15118 1/20 0.39
NR4A2 P43354 1/20 0.39
RAB9A P51151 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR1H2 P55055 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
CYP2A6 P11509 1/20 0.38
BACE1 P56817 1/20 0.38
GRM5 P41594 1/20 0.38

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
SCHEMBL13426115 0.86 SOD1 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3396037 0.85 FFAR1 (0.46) FFAR1FABP4CYSLTR2CYSLTR1
SCHEMBL3364903 0.83 GRM5 (0.46) FFAR1MEN1KMT2APRMT5WDR77
SCHEMBL3397786 0.82 SCN9A (0.44) FFAR1FABP4NR1H2PRMT5WDR77
SCHEMBL3365811 0.77 HPGD (0.37) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13425514 0.77 FFAR1 (0.43) FFAR1MEN1KMT2ANPC1RAB9A
SCHEMBL13425533 0.74 KCNH2 (0.45) MEN1KMT2A
SCHEMBL6596371 0.72 HPGDS (0.53) SMN1; SMN2PRMT5CYP2A6GRM5
SCHEMBL27995883 0.71 RXRA (0.48) FFAR1THRBSMN1; SMN2PRMT5WDR77
Hydrochloric Acid SCHEMBL1195021 0.71 HPGDS (0.52) SMN1; SMN2PRMT5CYP2A6GRM5

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed