SCHEMBL8945145

SCHEMBL8945145

CCCCCC1(Cc2ccc(N)cc2)CCCCC1c1ccccc1C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 2/20 0.33
CYP19A1 P11511 6/20 0.32
HTR6 P50406 1/20 0.31
CETP P11597 1/20 0.30
MMP2 P08253 2/20 0.30
MMP9 P14780 2/20 0.30
MMP8 P22894 2/20 0.30
MMP13 P45452 2/20 0.30
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
GSK3B P49841 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
SCHEMBL8945347 0.99 CYP19A1 (0.33) SLC10A2CYP19A1HTR6CETPMMP2
SCHEMBL8945247 0.99 CYP19A1 (0.33) SLC10A2CYP19A1HTR6CETPMMP2
SCHEMBL8945330 0.99 CYP19A1 (0.33) SLC10A2CYP19A1HTR6CETPMMP2
SCHEMBL8945039 0.97 SLC10A2 (0.35) SLC10A2CYP19A1HTR6GSK3B
SCHEMBL8945071 0.92 SLC10A2 (0.33) SLC10A2HTR6
SCHEMBL8945227 0.88 HTR6 (0.34) HTR6GSK3B
SCHEMBL8945308 0.80 KDM1A (0.40) SLC10A2HTR6
SCHEMBL8945087 0.80 SLC10A2 (0.35) SLC10A2CYP19A1HTR6GSK3B
SCHEMBL8945429 0.79 SLC10A2 (0.32) SLC10A2HTR6
SCHEMBL8945265 0.79 HTR6 (0.36) HTR6GSK3B

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
US-5501884-A Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORPORATION (JP) 1996-03-26 US disclosed