SCHEMBL28892011

SCHEMBL28892011

NCc1ccc2ccc3c(CN)ccc4ccc1c2c43

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
LOXL2 Q9Y4K0 1/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
CYP1A2 P05177 3/20 0.35
THRB P10828 1/20 0.35
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
ERBB2 P04626 1/20 0.32
FYN P06241 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
AHR P35869 1/20 0.32

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
SCHEMBL29714773 0.91 KMT2A (0.51) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL497038 0.91 KMT2A (0.51) MEN1KMT2AALDH1A1KDM4EHPGD
Water SCHEMBL28455416 0.89 KMT2A (0.50) MEN1KMT2AALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL29441801 0.89 KMT2A (0.50) MEN1KMT2AALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL27843487 0.89 KMT2A (0.50) MEN1KMT2AALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL14993313 0.89 KMT2A (0.50) MEN1KMT2AALDH1A1KDM4EHPGD
Iodide SCHEMBL17782949 0.89 KMT2A (0.50) MEN1KMT2AALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL466304 0.89 KMT2A (0.50) MEN1KMT2AALDH1A1KDM4EHPGD
Iodide SCHEMBL17782947 0.87 KMT2A (0.49) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL20683224 0.80 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4ELOXL2

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
CN-111378145-A Force-induced response multiphase supramolecular block polymer 翁秋梅 2020-07-07 CN disclosed
CN-111378179-A Force-induced response supramolecular polymer 翁秋梅 2020-07-07 CN disclosed
CN-111378142-A Force-induced response supramolecular polymer 翁秋梅 2020-07-07 CN disclosed