SCHEMBL5798602

SCHEMBL5798602

O=C1c2ccccc2[SH3]c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
RXRA P19793 4/20 0.39
RXRB P28702 4/20 0.39
RXRG P48443 3/20 0.39
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
APAF1 O14727 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
XBP1 P17861 1/20 0.35
PTBP1 P26599 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL10050482 0.76 RXRA (0.49) MAOBRXRARXRBRXRGPARP10
SCHEMBL5800790 0.74 HSD17B1 (0.47) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL1480129 0.69 MAPT (0.62) MAOBMEN1KMT2AEDNRBEDNRA
SCHEMBL1480615 0.69 MAPT (0.58) MAOBMEN1KMT2AEDNRBEDNRA
SCHEMBL30689245 0.67 PARP10 (0.55) MAOBPARP10PARP11MEN1KMT2A
SCHEMBL28222642 0.66 KIF11 (0.70) MAOBRXRARXRBRXRGALDH1A1
SCHEMBL9171969 0.66 NPC1 (0.66) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL25489511 0.64 RXRA (0.48) MAOBRXRARXRBRXRGALDH1A1
SCHEMBL15499268 0.64 RXRA (0.48) MAOBRXRARXRBRXRGALDH1A1
SCHEMBL2138447 0.64 KIF11 (0.65) RXRARXRBRXRGALDH1A1CNR1

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-2006060774-A2 AGENTS THAT INHIBIT FLAVIVIRUS REPLICATION AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-06-08 WO disclosed