SCHEMBL7190049

SCHEMBL7190049

Nc1ccc(Oc2ccc(N)c(C(F)(F)F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TSHR P16473 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MITF O75030 1/20 0.52
GFER P55789 1/20 0.52
NLRP1 Q9C000 1/20 0.52
NOD2 Q9HC29 1/20 0.52
NR4A1 P22736 1/20 0.47
MAOA P21397 2/20 0.45
MAPK1 P28482 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.44
AR P10275 2/20 0.44

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
SCHEMBL29896686 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL8146457 0.94 NR4A1 (0.52) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL710315 0.92 NR4A1 (0.54) ALDH1A1TSHRMAPTSMN1; SMN2GAA
SCHEMBL8762384 0.89 ALDH1A1 (0.51) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL30287636 0.89 NR4A1 (0.47) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL649034 0.89 NR4A1 (0.47) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL10664109 0.87 MAOB (0.48) ALDH1A1TSHRMAPTSMN1; SMN2GAA
SCHEMBL21332700 0.87 SCN9A (0.47) ALDH1A1MAPTSMN1; SMN2GAAMEN1
SCHEMBL30287666 0.87 MAOB (0.48) ALDH1A1TSHRMAPTSMN1; SMN2GAA
SCHEMBL5903416 0.86 AR (0.60) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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