SCHEMBL28884445

SCHEMBL28884445

CN(C)c1ccc2c(c1)N(C)c1cc(N(C)C)ccc1N2C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ P2RX4 Q99571 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ SNCA P37840 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ SLC16A3 O15427 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ BCHE P06276 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
SCHEMBL11596130 0.83 KMT2A (0.68) MEN1KMT2AMAPK1TDP1L3MBTL1
SCHEMBL9812759 0.67 KMT2A (0.64) MEN1KMT2AMAPK1TDP1L3MBTL1
SCHEMBL16285343 0.67 ALDH1A1 (0.41) MEN1KMT2AMAPK1TDP1L3MBTL1
SCHEMBL3419052 0.67 SNCA (0.76) MEN1KMT2AMAPK1TDP1L3MBTL1
SCHEMBL3899307 0.67 ALDH1A1 (0.47) MAPK1TDP1L3MBTL1P2RX4ALDH1A1
SCHEMBL8430267 0.67 ALDH1A1 (0.43) MAPK1TDP1P2RX4ALDH1A1SNCA
SCHEMBL9066824 0.67 SNCA (0.41) MEN1KMT2AMAPK1TDP1L3MBTL1
SCHEMBL20591907 0.65 ALDH1A1 (0.39) MEN1KMT2AMAPK1TDP1L3MBTL1
SCHEMBL1208061 0.64 MAPK1 (0.67) MEN1KMT2AMAPK1TDP1L3MBTL1
SCHEMBL29557693 0.64 MAPK1 (0.67) MEN1KMT2AMAPK1TDP1L3MBTL1

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-110785410-A Fluorine ion fluorescent probe 宝洁公司 2020-02-11 — — CN disclosed
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