SCHEMBL15216641

SCHEMBL15216641

C=CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
KMT2A Q03164 5/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 3/20 0.48
TLR9 Q9NR96 2/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 2/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAOB P27338 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46

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
SCHEMBL25196445 0.91 TLR9 (0.46) MAPTKMT2ALMNACYP1A2CYP3A4
SCHEMBL10046643 0.91 TLR9 (0.46) MAPTKMT2ALMNACYP1A2CYP3A4
SCHEMBL22107480 0.83 MAPT (0.57) MAPTKMT2ALMNACYP1A2CYP3A4
SCHEMBL15216644 0.83 MAPT (0.60) MAPTKMT2ALMNACYP1A2CYP3A4
SCHEMBL30384420 0.80 KMT2A (0.51) MAPTKMT2ALMNACYP1A2CYP3A4
SCHEMBL15218314 0.80 KMT2A (0.51) MAPTKMT2ALMNACYP1A2CYP3A4
SCHEMBL15218333 0.80 TLR9 (0.46) MAPTKMT2ALMNACYP1A2CYP3A4
SCHEMBL25196954 0.79 MAPT (0.64) MAPTKMT2ALMNACYP1A2CYP3A4
SCHEMBL15218447 0.79 MAPT (0.55) MAPTKMT2ALMNAMEN1MAPK1
SCHEMBL18960622 0.78 MAPT (0.61) 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