SCHEMBL29049650

SCHEMBL29049650

CCCNc1ccc(C(F)(c2ccc(NCCC)c(N)c2)C(F)(F)C(F)(F)F)cc1N.Nc1cc(C(c2ccc(Nc3ccccc3)c(N)c2)(C(F)(F)F)C(F)(F)F)ccc1Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.52
ALDH1A1 P00352 7/20 0.52
MAPT P10636 7/20 0.52
KDM4E B2RXH2 6/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
GFER P55789 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 2/20 0.36
THRB P10828 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 2/20 0.35
TRPA1 O75762 1/20 0.35
LMNA P02545 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL29093749 0.87 KDM4E (0.37) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL28367018 0.85 KDM4E (0.37) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL28285293 0.84 MAPT (0.72) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL376223 0.82 KDM4E (0.39) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL29699082 0.82 KDM4E (0.39) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL376200 0.81 GAA (0.77) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL29540467 0.81 GAA (0.77) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL29708495 0.81 GAA (0.77) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL25535335 0.80 GAA (0.59) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL3469834 0.79 KDM4E (0.42) GAAALDH1A1MAPTKDM4EMEN1

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
CN-114456524-B Crosslinkable elastomer composition and fluororubber molded article 大金工业株式会社 2023-08-11 CN disclosed