SCHEMBL9075012

SCHEMBL9075012

Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)cc5)c(C(F)(F)F)c4)CCC(c4ccccc4)CC3)cc2C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAOA P21397 1/20 0.33
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
NLRP3 Q96P20 1/20 0.32
FFAR1 O14842 3/20 0.32
AR P10275 2/20 0.31
LTA4H P09960 1/20 0.31
PTGS2 P35354 1/20 0.31
TNK2 Q07912 1/20 0.31
STK39 Q9UEW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9075021 0.94 NCOA1 (0.33) NCOA1NCOA3SLC6A2SLC6A4SLC6A3
SCHEMBL9075467 0.89 TEAD4 (0.37) SLC6A2SLC6A4SLC6A3RAB9AFFAR1
SCHEMBL9075551 0.87 L3MBTL1 (0.33) SLC6A2SLC6A4SLC6A3RAB9AAR
SCHEMBL9074348 0.85 NCOA1 (0.38) NCOA1NCOA3SLC6A2SLC6A4SLC6A3
SCHEMBL9075457 0.85 AR (0.32) SLC6A2SLC6A4SLC6A3RAB9AAR
SCHEMBL9073265 0.83 SPHK1 (0.36)
SCHEMBL9075442 0.83 NCOA1 (0.38) NCOA1NCOA3SLC6A2SLC6A4SLC6A3
SCHEMBL9075446 0.83 SLC6A4 (0.35) SLC6A2SLC6A4SLC6A3RAB9AFFAR1
SCHEMBL9075043 0.83 SPHK1 (0.40)
SCHEMBL9074823 0.82 SPHK1 (0.42)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545444-A Diamino compounds and liquid crystal aligning films CHISSO CORPORATION (JP) 1996-08-13 US disclosed
US-5430195-A Diamino compounds and liquid crystal aligning films CHISSO CORPORATION (JP) 1995-07-04 US disclosed
US-5414126-A Diamino compounds and liquid crystal aligning films CHISSO CORPORATION (JP) 1995-05-09 US disclosed