SCHEMBL28972004

SCHEMBL28972004

CC1=Nc2cccc(C)c2C1(C)I

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CD44 P16070 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MCL1 Q07820 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL31461336 0.79 MEN1 (0.55) MEN1KMT2ACD44CYP1A2CYP2A6
SCHEMBL1049879 0.79 MEN1 (0.55) MEN1KMT2ACD44CYP1A2CYP2A6
Iodide SCHEMBL27944610 0.78 MEN1 (0.53) MEN1KMT2ACD44CYP1A2CYP2A6
Phosphoric Acid SCHEMBL29008757 0.71 MEN1 (0.46) MEN1KMT2AALDH1A1
SCHEMBL28855115 0.71 KMT2A (0.36) MEN1KMT2AGAAALDH1A1
SCHEMBL28279986 0.69 MEN1 (0.38) MEN1KMT2A
SCHEMBL29082977 0.68 MEN1 (0.34) MEN1KMT2A
SCHEMBL10031421 0.68 MEN1 (0.51) MEN1KMT2AGAAMAPTMCL1
SCHEMBL14963003 0.64 MEN1 (0.65) MEN1KMT2ACYP1A2CYP2A6ALDH1A1
SCHEMBL2057766 0.64 MEN1 (0.51) MEN1KMT2AGAAMAPTMCL1

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-114656974-B Photochromic liquid crystal film and preparation method and application thereof 苏州大学 2023-03-24 CN disclosed