SCHEMBL3682208

SCHEMBL3682208

COc1ccc(C(=O)C=Cc2ccccc2N(C)CCN(C)C)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX12 P18054 1/20 0.50
ABCG2 Q9UNQ0 3/20 0.47
MAOB P27338 1/20 0.46
MAPT P10636 5/20 0.45
ATM Q13315 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
RECQL P46063 1/20 0.43

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
SCHEMBL3694613 0.88 ABCG2 (0.62) LMNAMEN1KMT2AGAAALDH1A1
SCHEMBL3690293 0.88 ABCG2 (0.62) LMNAMEN1KMT2AGAAALDH1A1
SCHEMBL3682205 0.88 MAOB (0.46) LMNAMEN1KMT2AHPGDGAA
SCHEMBL3686915 0.88 MAOB (0.46) LMNAMEN1KMT2AHPGDGAA
SCHEMBL6050485 0.86 MAPT (0.59) LMNAGAAALDH1A1ABCG2MAPT
SCHEMBL3695218 0.86 MAPT (0.59) LMNAGAAALDH1A1ABCG2MAPT
SCHEMBL5915545 0.84 LMNA (0.51) LMNAMEN1KMT2AHPGDGAA
SCHEMBL4849956 0.83 LMNA (0.53) LMNAMEN1KMT2AHPGDGAA
SCHEMBL6050471 0.82 MAOB (0.60) LMNAMEN1KMT2AHPGDALDH1A1
SCHEMBL3696883 0.82 MAOB (0.60) LMNAMEN1KMT2AHPGDALDH1A1

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
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US claimed
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 US disclosed
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US disclosed