SCHEMBL7213755

SCHEMBL7213755

CNc1ccc(NC(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.59
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 4/20 0.56
RECQL P46063 4/20 0.56
TSHR P16473 3/20 0.56
CYP3A4 P08684 3/20 0.56
THRB P10828 3/20 0.56
ALOX15 P16050 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
LMNA P02545 1/20 0.56
ALOX12 P18054 1/20 0.56
ATM Q13315 1/20 0.56
RXFP1 Q9HBX9 1/20 0.45
TP53 P04637 2/20 0.44
CASP1 P29466 2/20 0.44
HIF1A Q16665 2/20 0.44
HSP90AA1 P07900 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
APP P05067 4/20 0.41
CA12 O43570 1/20 0.39

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
SCHEMBL15342891 0.89 TDP1 (0.48) TDP1ALDH1A1HSD17B10RECQLTSHR
SCHEMBL39430 0.88 TDP1 (0.72) TDP1ALDH1A1HSD17B10RECQLTSHR
SCHEMBL21954713 0.87 TDP1 (0.46) TDP1ALDH1A1HSD17B10RECQLTSHR
SCHEMBL21954712 0.87 TDP1 (0.46) TDP1ALDH1A1HSD17B10RECQLTSHR
SCHEMBL3823499 0.83 RXFP1 (0.47) TDP1ALDH1A1HSD17B10RECQLTSHR
SCHEMBL9934007 0.80 TDP1 (0.81) TDP1ALDH1A1HSD17B10RECQLTSHR
SCHEMBL2971862 0.79 TDP1 (0.54) TDP1ALDH1A1HSD17B10RECQLTSHR
SCHEMBL153943 0.78 TSHR (0.67) ALDH1A1HSD17B10RECQLTSHRCYP3A4
SCHEMBL20763402 0.78 TDP1 (0.46) TDP1ALDH1A1HSD17B10RECQLTSHR
SCHEMBL1454276 0.78 TDP1 (0.59) TDP1ALDH1A1HSD17B10RECQLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120152822-A1 POLYMERIC MATRICES FORMED FROM MONOMERS COMPRISING A PROTECTED AMINE GROUP BL TECHNOLOGIES, INC. 2012-06-21 US disclosed
US-8106420-B2 Light emitting device including semiconductor nanocrystals MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-01-31 US disclosed
US-20100308369-A1 Light emitting device including semiconductor nanocrystals MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2010-12-09 US disclosed
US-6613818-B1 Composition for back coating film of mirror formed on metallic protective film, comprising vehicle containing synthetic resin, salt formed by neutralization of acid with base containing metal having greater ionization tendency, and base CENTRAL GLASS COMPANY, LIMITED (JP) 2003-09-02 US disclosed