SCHEMBL31493129

SCHEMBL31493129

C#CC(O)(c1ccccc1)c1ccc(N(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.46
NR1H3 Q13133 6/20 0.46
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
NOX1 Q9Y5S8 2/20 0.42
CNR2 P34972 2/20 0.41
NPY2R P49146 1/20 0.40
HSD11B1 P28845 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TSHR P16473 2/20 0.38
ESRRG P62508 1/20 0.37
PSMD14 O00487 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL1793818 0.97 NR1H2 (0.48) NR1H2NR1H3ALDH1A1MEN1NPC1
SCHEMBL7124946 0.91 ALDH1A1 (0.44) NR1H2NR1H3ALDH1A1MEN1NPC1
SCHEMBL26808251 0.87 ALDH1A1 (0.41) NR1H2NR1H3ALDH1A1MEN1KMT2A
SCHEMBL31493151 0.81 KIF11 (0.39) ALDH1A1MEN1KMT2ANPY2RKDM4E
SCHEMBL4806571 0.79 SLC2A1 (0.52) NR1H2NR1H3ALDH1A1MEN1NPC1
SCHEMBL593400 0.79 NR1H2 (0.54) NR1H2NR1H3ALDH1A1MEN1NPC1
Alcohol SCHEMBL7269785 0.78 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL362964 0.76 TSHR (0.43) ALDH1A1MEN1KMT2ATSHRCYP3A4
SCHEMBL9533063 0.76 ALDH1A1 (0.42) NR1H2NR1H3ALDH1A1MEN1NPC1
SCHEMBL13324446 0.75 CNR2 (0.44) NR1H2NR1H3ALDH1A1MEN1NPC1

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-119798281-A Photochromic compound and preparation method and application thereof 上海甘田光学材料有限公司 2025-04-11 CN disclosed