SCHEMBL15216644

SCHEMBL15216644

CCCN(C)c1ccc(/C=C/C(=O)c2ccc(NC(=O)CCCl)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
KMT2A Q03164 5/20 0.60
LMNA P02545 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
TUBB4A P04350 2/20 0.54
TUBB P07437 2/20 0.54
TUBA3C P0DPH7 2/20 0.54
TUBA1B P68363 2/20 0.54
TUBA4A P68366 2/20 0.54
TUBB4B P68371 2/20 0.54
TUBB3 Q13509 2/20 0.54
TUBB2A Q13885 2/20 0.54
TUBB8 Q3ZCM7 2/20 0.54
TUBA3E Q6PEY2 2/20 0.54
TUBA1A Q71U36 2/20 0.54
TUBA1C Q9BQE3 2/20 0.54

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
SCHEMBL15218113 0.92 MAPT (0.54) MAPTKMT2ALMNACYP1A2CYP3A4
SCHEMBL25196954 0.88 MAPT (0.64) MAPTKMT2ALMNACYP1A2CYP3A4
SCHEMBL15218195 0.84 TUBB4A (0.56) MAPTKMT2ALMNACYP1A2CYP3A4
SCHEMBL15216641 0.83 MAPT (0.48) MAPTKMT2ALMNACYP1A2CYP3A4
SCHEMBL15218415 0.82 TUBB4A (0.69) MAPTKMT2ALMNACYP1A2CYP3A4
SCHEMBL15218339 0.82 TUBB4A (0.69) MAPTKMT2ALMNACYP1A2CYP3A4
SCHEMBL15218358 0.82 TUBB4A (0.69) MAPTKMT2ALMNACYP1A2CYP3A4
SCHEMBL15218090 0.82 TUBB4A (0.69) MAPTKMT2ALMNACYP1A2CYP3A4
SCHEMBL15218094 0.82 TUBB4A (0.69) MAPTKMT2ALMNACYP1A2CYP3A4
SCHEMBL25235979 0.81 MAPT (0.52) MAPTKMT2ALMNACYP1A2CYP3A4

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-8871976-B2 Chalcone structure fluorescence dye for embryonic stem cell probe NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-10-28 US disclosed
US-20130224790-A1 Chalcone Structure Fluorescence Dye For Embryonic Stem Cell Probe AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-08-29 US disclosed