SCHEMBL11648905

SCHEMBL11648905

CCCNc1ccc2c(c1N)C(=O)c1ccccc1C2=O.NCCCNc1cccc2c1C(=O)c1c(N)ccc(N)c1C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MAPK1 P28482 4/20 0.46
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ POLB P06746 3/20 0.46
▸ EGFR P00533 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAD52 P43351 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ MAOA P21397 3/20 0.43
▸ MAOB P27338 1/20 0.43
▸ TERT O14746 1/20 0.42
▸ NSD2 O96028 2/20 0.41
▸ MMP14 P50281 2/20 0.41

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
SCHEMBL7829735 0.84 NSD2 (0.55) MEN1KMT2AMAPK1L3MBTL1MAPT
SCHEMBL3168294 0.83 MAPK1 (0.54) MEN1KMT2AMAPK1L3MBTL1MAPT
SCHEMBL20333884 0.81 FGB (0.53) MEN1KMT2AMAPK1L3MBTL1MAPT
SCHEMBL109325 0.81 MEN1 (0.64) MEN1KMT2AMAPK1L3MBTL1MAPT
Hydrochloric Acid SCHEMBL6577424 0.80 MAPT (0.63) MEN1KMT2AMAPK1L3MBTL1MAPT
SCHEMBL28287515 0.80 ADORA2A (0.58) MEN1KMT2AMAPK1L3MBTL1MAPT
SCHEMBL5218082 0.79 MAOA (0.63) MEN1KMT2AMAPK1L3MBTL1MAPT
Methylamine SCHEMBL10780560 0.78 ADORA2A (0.56) MEN1KMT2AMAPK1L3MBTL1MAPT
SCHEMBL10781791 0.78 MAPT (0.62) MEN1KMT2AMAPK1L3MBTL1MAPT
SCHEMBL3853827 0.78 NSD2 (0.57) MEN1KMT2AMAPK1L3MBTL1MAPT

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
US-4096332-A POLYHYDROXYLATED TERTIARY AMINES OR QUATERNARY AMMONIUM SALTS THEREOF L'OREAL (FR) 1978-06-20 — — US disclosed
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