SCHEMBL14288546

SCHEMBL14288546

CCCCNP(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ TSHR P16473 4/20 0.46
▸ HTT P42858 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ NAAA Q02083 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ CYP3A4 P08684 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
SCHEMBL14288549 0.93 NAAA (0.51) MEN1KMT2ANPSR1HTTLMNA
SCHEMBL14288548 0.93 NAAA (0.51) MEN1KMT2ANPSR1HTTLMNA
SCHEMBL14303134 0.86 ALDH1A1 (0.48) MEN1KMT2ANPSR1TSHRHTT
SCHEMBL14304765 0.83 LMNA (0.45) MEN1KMT2ANPSR1TSHRHTT
SCHEMBL14304267 0.82 SIGMAR1 (0.42) NPSR1TSHRHTTLMNASMN1; SMN2
SCHEMBL11134932 0.81 TSHR (0.47) MEN1KMT2ANPSR1TSHRHTT
SCHEMBL29173725 0.77 L3MBTL1 (0.37) MEN1KMT2ANPSR1TSHRLMNA
Triphenylphosphine Oxide SCHEMBL27646660 0.77 LMNA (0.59) MEN1KMT2ANPSR1HTTLMNA
SCHEMBL7405399 0.77 NAAA (0.50) MEN1KMT2ANPSR1HTTNAAA
SCHEMBL8721542 0.77 NAAA (0.50) MEN1KMT2ANPSR1HTTNAAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 — — US disclosed
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 — — US disclosed
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