SCHEMBL7182073

SCHEMBL7182073

Nc1cc(Oc2ccccc2Oc2cc(N)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
NLRP3 Q96P20 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
AR P10275 2/20 0.37
MAOB P27338 2/20 0.36
TLR8 Q9NR97 1/20 0.36

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
SCHEMBL8138086 0.88 TSHR (0.46) TSHRMAPK1L3MBTL1MAPTNPSR1
SCHEMBL9565267 0.86 NCOA1 (0.56) TSHRMAPK1L3MBTL1NPSR1RAB9A
SCHEMBL8581109 0.86 MEN1 (0.58) TSHRMAPK1L3MBTL1MAPTNPSR1
SCHEMBL7186658 0.85 ALDH1A1 (0.47) TSHRMAPK1L3MBTL1MAPTRAB9A
SCHEMBL7194344 0.83 RAB9A (0.48) TSHRMAPK1L3MBTL1MAPTRAB9A
SCHEMBL7194629 0.83 RAB9A (0.48) TSHRMAPK1L3MBTL1MAPTRAB9A
Hydrochloric Acid SCHEMBL8952497 0.83 ALDH1A1 (0.45) TSHRMAPK1L3MBTL1MAPTRAB9A
SCHEMBL1100543 0.83 MAPT (0.50) TSHRMAPK1L3MBTL1MAPTNPSR1
SCHEMBL31179989 0.82 CYP1A2 (0.52) TSHRMAPK1L3MBTL1MAPTNPSR1
SCHEMBL30761013 0.82 MAPT (0.50) TSHRMAPK1L3MBTL1MAPTNPSR1

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
US-20030064235-A1 Optical members made of polymide resins MITSUI CHEMICALS, INC. (JP) 2003-04-03 US disclosed
EP-1237015-A1 OPTICAL MEMBERS MADE OF POLYIMIDE RESINS Mitsui Chemicals, Inc. (JP) 2002-09-04 EP disclosed