SCHEMBL3688010

SCHEMBL3688010

CN(C)CCN(C)c1ccc(C=CC(=O)c2ccccc2CN(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45

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
SCHEMBL3691944 1.00 MAPT (0.51) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL3685872 0.87 MAOB (0.42) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL3691227 0.84 MEN1 (0.38) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL3685710 0.84 ALDH1A1 (0.58) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL3691359 0.84 ALDH1A1 (0.58) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL5915675 0.83 HDAC6 (0.57) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL5915549 0.82 MAPK1 (0.48) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL5915371 0.82 MAOB (0.59) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL3686100 0.81 MAOA (0.45) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL3692967 0.81 MAOA (0.45) MAPTKMT2ANPC1RAB9AMEN1

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 7 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
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP claimed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO 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
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP disclosed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed